UCSF

ZINC20120637

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 19 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) 1.45 3.23 -4.36 1 4 0 37 263.385 5
Mid Mid (pH 6-8) 1.45 4.35 -44.29 2 4 1 42 264.393 5
Lo Low (pH 4.5-6) 1.45 5.5 -84.95 3 4 2 40 265.401 5
Lo Low (pH 4.5-6) 1.45 5.06 -38.77 2 4 1 39 264.393 5

Activity (Go SEA)

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