UCSF

ZINC09409061

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 34 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) 4.73 9.37 -12.61 2 7 0 88 455.514 8
Mid Mid (pH 6-8) 4.73 10.13 -53.78 1 7 -1 91 454.506 8

Activity (Go SEA)

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