UCSF

ZINC36118509

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 28 Yes

Popular Name: 3-[[4-(azepane-1-carbonyl)phenyl]methylamino]-4-pyrrolidin-1-yl-cyclobut-3-ene-1,2-dione 3-[[4-(azepane-1-carbonyl)phenyl…

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Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.04 4.99 -39.12 2 6 1 76 382.484 3 ↓
Hi High (pH 8-9.5) -1.04 5.78 -20.45 1 6 0 79 381.476 3 ↓
Hi High (pH 8-9.5) 2.55 6.79 -11.75 1 6 0 73 381.476 4 ↓
Mid Mid (pH 6-8) -1.04 6.06 -114.9 3 6 2 78 383.492 3 ↓

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Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.