UCSF

ZINC34032060

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2009 23 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) 2.82 9.11 -30.2 1 4 0 44 306.413 4
Hi High (pH 8-9.5) 2.82 8.13 -32.46 2 4 1 46 307.421 4
Mid Mid (pH 6-8) 2.82 7.1 -9.93 1 4 0 45 306.413 4
Mid Mid (pH 6-8) 2.82 9.48 -45.93 2 4 1 46 307.421 4

Activity (Go SEA)

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