UCSF

ZINC30543992

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2009 28 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) 4.02 10 -57.35 2 5 1 57 377.464 7
Hi High (pH 8-9.5) 4.02 8.59 -10.4 1 5 0 53 376.456 7

Activity (Go SEA)

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