UCSF

ZINC09219999

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 26 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) 3.04 7.86 -13.95 1 6 0 65 369.808 4
Mid Mid (pH 6-8) 3.04 -0.67 -41.52 2 6 1 66 370.816 4

Activity (Go SEA)

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