UCSF

ZINC22876868

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 26 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) 5.05 14.2 -38.11 1 4 1 35 408.378 6
Mid Mid (pH 6-8) 5.05 11.7 -8.31 0 4 0 34 407.37 6

Activity (Go SEA)

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