UCSF

ZINC10432810

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2007 25 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) 1.10 5.44 -12.72 1 6 0 75 334.379 4
Lo Low (pH 4.5-6) 1.10 5.72 -42.98 2 6 1 76 335.387 4

Activity (Go SEA)

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