UCSF

ZINC37793248

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) -0.04 2 -51.51 3 7 -1 122 279.272 8
Lo Low (pH 4.5-6) -0.04 0.02 -14.94 4 7 0 119 280.28 8

Activity (Go SEA)

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