UCSF

ZINC13860026

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 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) -1.93 3.78 -50.35 4 8 0 126 236.235 5
Lo Low (pH 4.5-6) -1.93 4.04 -89.83 5 8 1 128 237.243 5
Lo Low (pH 4.5-6) -1.93 -0.34 -84.08 5 8 1 128 237.243 5

Activity (Go SEA)

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