UCSF

ZINC05763909

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2006 21 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) 0.24 3.27 -45.06 1 7 -1 101 305.291 4
Mid Mid (pH 6-8) 0.24 2.34 -110.97 0 7 -2 103 304.283 4

Activity (Go SEA)

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