UCSF

ZINC34679280

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 20 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) 1.40 4.67 -7.71 1 4 0 42 274.364 1
Lo Low (pH 4.5-6) 1.40 6.01 -41.56 2 4 1 46 275.372 1

Activity (Go SEA)

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