UCSF

ZINC37818143

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) -0.23 0.45 -46.28 4 6 1 86 260.358 8
Mid Mid (pH 6-8) -0.23 0.15 -13.98 3 6 0 85 259.35 8

Activity (Go SEA)

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