UCSF

ZINC22204540

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 32 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) 0.54 9.94 -412.42 1 13 -5 255 441.236 8
Mid Mid (pH 6-8) 0.54 12.02 -558.62 0 13 -6 258 440.228 8

Activity (Go SEA)

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