UCSF

ZINC49011501

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2010 19 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) 2.35 7.85 -39.68 1 4 1 47 263.361 9
Mid Mid (pH 6-8) 2.35 5.69 -10.15 0 4 0 45 262.353 9

Activity (Go SEA)

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