UCSF

ZINC37053057

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 0.53 1.13 -12.8 3 5 0 85 263.322 4
Mid Mid (pH 6-8) 0.53 1.31 -43.44 2 5 -1 87 262.314 4

Activity (Go SEA)

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