UCSF

ZINC05376993

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 25 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) 4.36 7.18 -14.22 1 5 0 60 358.394 5
Mid Mid (pH 6-8) 4.36 6.72 -43.31 0 5 -1 63 357.386 5

Activity (Go SEA)

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