UCSF

ZINC58068078

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2011 20 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) 2.85 7.85 -35.43 2 4 1 38 278.42 5
Hi High (pH 8-9.5) 2.85 6.21 -10.65 1 4 0 37 277.412 5

Activity (Go SEA)

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