UCSF

ZINC19864896

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 16 Yes

Other Names:

MFCD00167597

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) 1.05 5.91 -35.29 1 3 1 25 223.34 2
Hi High (pH 8-9.5) 1.05 3.45 -5.96 0 3 0 24 222.332 2
Mid Mid (pH 6-8) 1.05 5.7 -33.05 1 3 1 25 223.34 2

Activity (Go SEA)

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