UCSF

ZINC01778809

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 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) 2.65 4.67 -26.84 2 3 1 35 237.71 4
Mid Mid (pH 6-8) 2.65 4.27 -8.49 1 3 0 34 236.702 4

Activity (Go SEA)

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