UCSF

ZINC00334302

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 11 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) 0.71 3.72 -13.02 1 3 0 42 150.181 1
Lo Low (pH 4.5-6) 0.71 3.48 -26.86 2 3 1 43 151.189 1

Activity (Go SEA)

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