UCSF

ZINC44703183

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 16 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) 0.42 1.36 -14.62 1 5 0 53 227.308 4
Mid Mid (pH 6-8) 0.42 3.51 -48.85 2 5 1 54 228.316 4

Activity (Go SEA)

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