UCSF

ZINC37809479

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 16 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) 1.28 2.15 -44.45 4 4 1 68 231.36 9
Mid Mid (pH 6-8) 1.28 1.85 -7.47 3 4 0 67 230.352 9

Activity (Go SEA)

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