UCSF

ZINC39960742

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 21 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) 3.45 9.02 -124.97 3 3 2 30 290.451 6
Mid Mid (pH 6-8) 3.45 6.96 -43.07 2 3 1 29 289.443 6

Activity (Go SEA)

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