UCSF

ZINC35411393

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 17 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) -0.05 1.67 -50.1 3 5 1 79 233.295 3
Lo Low (pH 4.5-6) -0.05 2.13 -94.41 4 5 2 81 234.303 3

Activity (Go SEA)

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