UCSF

ZINC22066821

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 22 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) 5.79 11.9 -9.42 0 1 0 13 283.374 0
Mid Mid (pH 6-8) 5.79 12.17 -25.15 1 1 1 14 284.382 0

Activity (Go SEA)

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