UCSF

ZINC59069390

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2011 23 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) 4.56 9.12 -8.28 0 4 0 31 315.413 9
Mid Mid (pH 6-8) 4.56 9.21 -21.86 1 4 0 32 316.421 9

Activity (Go SEA)

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