UCSF

ZINC55332945

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2010 18 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) 4.27 6.26 -5.76 2 3 0 52 244.338 4
Lo Low (pH 4.5-6) 4.27 6.2 -27.64 3 3 1 53 245.346 4

Activity (Go SEA)

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