UCSF

ZINC44626997

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 11 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) -0.22 2.6 -39.15 2 4 1 52 162.209 7
Mid Mid (pH 6-8) -0.22 1.24 -6.13 1 4 0 48 161.201 7

Activity (Go SEA)

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