UCSF

ZINC02896607

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 37 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) 9.32 0 -9.33 1 2 0 28 512.703 7
Mid Mid (pH 6-8) 9.32 0.2 -33.5 2 2 1 29 513.711 7

Activity (Go SEA)

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