UCSF

ZINC34455543

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 15 No

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) 1.25 5.97 -41.87 0 3 -1 57 209.265 3
Mid Mid (pH 6-8) 0.67 5.99 -10.11 0 3 0 51 210.273 3

Activity (Go SEA)

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