UCSF

ZINC23359957

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 28 Yes

Popular Name: (3S,4S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-[4-(2-pyridyl)piperazin-1-yl]pyrrolidin-3-ol (3S,4S)-1-(2,1,3-benzoxadiazol-4…

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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) 1.58 5.17 -94.94 3 8 2 84 382.468 4 ↓
Hi High (pH 8-9.5) 1.58 2.43 -19.23 1 8 0 82 380.452 4 ↓
Mid Mid (pH 6-8) 1.58 4.88 -56.24 2 8 1 83 381.46 4 ↓

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

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