UCSF

ZINC09013232

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 29 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) 3.48 13.11 -17.36 1 6 0 69 390.418 3
Mid Mid (pH 6-8) 3.66 13.67 -57.84 2 6 1 74 391.426 3

Activity (Go SEA)

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