UCSF

ZINC05285968

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 15 Yes

Other Names:

MFCD00847325

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) 1.36 4.25 -12.17 1 4 0 46 203.245 1
Mid Mid (pH 6-8) 1.36 4.66 -31.11 2 4 1 48 204.253 1

Activity (Go SEA)

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