UCSF

ZINC08964441

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2007 31 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) 4.22 2.36 -14.46 0 8 0 109 433.807 3
Lo Low (pH 4.5-6) 4.22 2.52 -41.71 1 8 1 110 434.815 3

Activity (Go SEA)

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