UCSF

ZINC40169727

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2010 21 No

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) 2.81 7.73 -9 1 7 0 100 281.275 3
Mid Mid (pH 6-8) 2.81 7.55 -42.27 0 7 -1 99 280.267 3

Activity (Go SEA)

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