UCSF

ZINC44725177

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 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) 0.03 3.01 -36.31 2 5 1 61 220.289 10
Hi High (pH 8-9.5) 0.03 1.97 -10.3 1 5 0 57 219.281 10

Activity (Go SEA)

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