UCSF

ZINC34977265

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 17 Yes

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) 2.02 5.08 -38.72 2 3 1 29 235.351 4
Hi High (pH 8-9.5) 2.02 5.81 -35.3 2 3 1 26 235.351 4
Hi High (pH 8-9.5) 2.02 3.79 -4.01 1 3 0 24 234.343 4

Activity (Go SEA)

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