UCSF

ZINC61376742

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 21 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.18 2.94 -48.02 2 5 1 60 313.443 7
Hi High (pH 8-9.5) 0.18 0.51 -14.93 1 5 0 59 312.435 7
Mid Mid (pH 6-8) 0.18 1.67 -61.62 2 5 1 63 313.443 7
Lo Low (pH 4.5-6) 0.18 4.11 -148.87 3 5 2 64 314.451 7

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

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