UCSF

ZINC34973349

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 1.90 6.01 -35.93 2 3 1 26 249.378 7
Lo Low (pH 4.5-6) 1.90 7.19 -117.08 3 3 2 30 250.386 7

Activity (Go SEA)

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