UCSF

ZINC12410868

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2008 25 No

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) 3.67 10.58 -17.17 1 4 0 47 337.398 6
Mid Mid (pH 6-8) 4.37 0.68 -50.86 1 4 1 47 338.406 6

Activity (Go SEA)

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