UCSF

ZINC37812758

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 1.93 7.21 -44.01 2 4 1 37 274.388 3
Mid Mid (pH 6-8) 1.93 4.95 -7.6 1 4 0 36 273.38 3

Activity (Go SEA)

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