UCSF

ZINC44767435

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2010 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) 1.53 6.54 -39.21 2 4 1 57 248.35 3
Hi High (pH 8-9.5) 1.39 4.89 -40.26 1 4 0 64 247.342 3

Activity (Go SEA)

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