UCSF

ZINC24924301

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 22 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) 0.78 5.66 -44.07 2 7 0 93 315.358 3
Mid Mid (pH 6-8) 0.84 4.71 -73.32 1 7 -1 99 314.35 3

Activity (Go SEA)

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