UCSF

ZINC45628435

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 3.06 7.81 -42.38 3 3 1 54 250.362 7
Mid Mid (pH 6-8) 3.06 7.52 -4.14 2 3 0 52 249.354 7

Activity (Go SEA)

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