UCSF

ZINC37809561

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 15 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) 0.72 1.37 -45.29 4 4 1 68 217.333 8
Mid Mid (pH 6-8) 0.72 1.03 -9.01 3 4 0 67 216.325 8

Activity (Go SEA)

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