UCSF

ZINC05135101

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 28 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) 2.37 -2.89 -55.31 1 7 -1 106 403.48 9
Hi High (pH 8-9.5) 2.37 -2.31 -94.01 0 7 -2 108 402.472 9

Activity (Go SEA)

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