UCSF

ZINC37870346

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 14 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) -0.31 0.58 -33.57 4 4 1 60 198.29 3
Mid Mid (pH 6-8) -0.31 -0.72 -41.99 4 4 1 63 198.29 3
Lo Low (pH 4.5-6) -0.31 1.66 -101.04 5 4 2 64 199.298 3

Activity (Go SEA)

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