UCSF

ZINC42601894

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 15 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) 2.93 5.88 -104.11 4 2 2 32 216.413 9
Hi High (pH 8-9.5) 2.93 5.49 -29.4 3 2 1 30 215.405 9
Mid Mid (pH 6-8) 2.93 3.65 -40.71 3 2 1 31 215.405 9

Activity (Go SEA)

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