UCSF

ZINC09030187

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 32 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) 3.88 15.02 -14.81 1 8 0 88 434.496 9
Lo Low (pH 4.5-6) 4.06 15.45 -57.5 2 8 1 92 435.504 9

Activity (Go SEA)

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