UCSF

ZINC37803545

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 0.13 3.52 -60.37 3 6 1 77 296.391 2
Mid Mid (pH 6-8) 0.13 3.28 -17.2 2 6 0 76 295.383 2

Activity (Go SEA)

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