UCSF

ZINC17201292

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2008 22 No

Other Names:

MFCD02943303

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) 4.56 5.88 -8.96 2 4 0 65 310.378 2
Hi High (pH 8-9.5) 4.07 6.61 -97.28 0 4 -2 67 308.362 3
Mid Mid (pH 6-8) 4.07 5.84 -44.97 1 4 -1 64 309.37 3

Activity (Go SEA)

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