UCSF

ZINC37818559

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) 0.01 3.1 -40.77 2 5 1 53 295.432 3
Mid Mid (pH 6-8) 0.01 5.33 -96.3 3 5 2 54 296.44 3

Activity (Go SEA)

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