UCSF

ZINC01081156

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 12 Yes

Other Names:

MFCD00129774

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) 2.52 0.92 -3.26 0 1 0 13 159.232 1
Lo Low (pH 4.5-6) 2.52 1.03 -31.91 1 1 1 14 160.24 1

Activity (Go SEA)

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