UCSF

ZINC01726447

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 16 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) -0.45 4.86 -206.13 1 7 -3 141 231.18 7
Lo Low (pH 4.5-6) -0.45 3.01 -123.9 2 7 -2 138 232.188 7
Lo Low (pH 4.5-6) -0.45 2.88 -106.45 2 7 -2 138 232.188 7
Lo Low (pH 4.5-6) -0.45 1.03 -53.57 3 7 -1 135 233.196 7

Activity (Go SEA)

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