UCSF

ZINC37870382

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 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) 1.49 3.28 -42.3 4 5 1 78 342.213 4
Mid Mid (pH 6-8) 1.49 2.39 -11.03 3 5 0 74 341.205 4

Activity (Go SEA)

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