UCSF

ZINC37811462

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) 0.20 5.65 -100.51 4 4 2 52 269.414 4
Mid Mid (pH 6-8) 0.20 3.78 -51.42 3 4 1 51 268.406 4

Activity (Go SEA)

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