UCSF

ZINC00808104

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 21 No

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) 1.55 -1.2 -12.95 2 5 0 79 287.246 3
Mid Mid (pH 6-8) 0.97 -1.38 -20.24 1 5 0 76 287.246 3

Activity (Go SEA)

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