UCSF

ZINC22151272

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 21 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) 6.20 9.84 -6.33 1 2 0 25 282.431 3
Mid Mid (pH 6-8) 6.20 10.26 -31.06 2 2 1 26 283.439 3

Activity (Go SEA)

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