UCSF

ZINC19232213

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 18 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) 0.50 2.32 -53.86 4 4 1 74 271.406 6
Hi High (pH 8-9.5) 0.50 2.02 -7.85 3 4 0 72 270.398 6

Activity (Go SEA)

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