UCSF

ZINC44124020

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 17 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) 0.28 5.86 -39.43 2 5 1 54 237.327 4
Mid Mid (pH 6-8) 0.28 3.66 -7.76 1 5 0 52 236.319 4

Activity (Go SEA)

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