UCSF

ZINC35608571

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 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) 0.52 1.56 -10.5 2 5 0 65 237.303 4
Lo Low (pH 4.5-6) 0.52 1.89 -34.45 3 5 1 67 238.311 4

Activity (Go SEA)

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