UCSF

ZINC05313420

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 31 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) 1.47 5.64 -13.98 4 11 0 147 495.334 8
Mid Mid (pH 6-8) 1.47 6.16 -35.1 5 11 1 148 496.342 8

Activity (Go SEA)

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