UCSF

ZINC05495675

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 22 No

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) 4.92 6.92 -12.73 1 4 0 62 290.322 3
Hi High (pH 8-9.5) 4.92 7.62 -42.28 0 4 -1 65 289.314 3

Activity (Go SEA)

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