UCSF

ZINC42772536

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 0.89 1.8 -7.1 2 5 0 62 264.325 5
Mid Mid (pH 6-8) 0.89 1.63 -21.41 3 5 0 63 265.333 5

Activity (Go SEA)

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