UCSF

ZINC43435317

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 15 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) 0.32 -0.59 -39.26 4 5 1 83 220.289 8
Mid Mid (pH 6-8) 0.32 -1.84 -9.49 3 5 0 79 219.281 8

Activity (Go SEA)

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