UCSF

ZINC05731227

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 13 Yes

Other Names:

MFCD00463252

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) 0.92 1.11 -15.75 3 4 0 76 177.159 0
Hi High (pH 8-9.5) 1.18 1.86 -49.78 2 4 -1 79 176.151 0

Activity (Go SEA)

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