UCSF

ZINC40854037

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 19 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) 1.20 2.35 -46.23 4 5 1 75 265.333 5
Hi High (pH 8-9.5) 1.20 2.05 -7.67 3 5 0 74 264.325 5

Activity (Go SEA)

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