UCSF

ZINC07584305

Substance Information

In ZINC since Heavy atoms Benign functionality
June 6th, 2006 20 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) 3.17 10.53 -48.92 2 3 1 20 292.472 5
Mid Mid (pH 6-8) 3.17 8.32 -9.03 1 3 0 19 291.464 5

Activity (Go SEA)

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