UCSF

ZINC37870291

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 17 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) 0.99 2.32 -41.5 4 4 1 69 233.291 3
Mid Mid (pH 6-8) 0.99 1.33 -6.91 3 4 0 64 232.283 3

Activity (Go SEA)

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