UCSF

ZINC09379269

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 30 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) 3.31 -1.1 -12.49 1 6 0 72 397.482 6
Lo Low (pH 4.5-6) 3.31 -0.99 -38.23 2 6 1 73 398.49 6

Activity (Go SEA)

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