UCSF

ZINC36853677

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 13 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) -1.73 -5.01 -15.06 4 6 0 101 185.183 3
Hi High (pH 8-9.5) -1.73 -5.05 -15.94 4 6 0 101 185.183 3
Mid Mid (pH 6-8) -1.73 -3.99 -48.15 5 6 1 106 186.191 3
Mid Mid (pH 6-8) -1.55 -6.52 -41.62 4 6 0 112 185.183 3
Mid Mid (pH 6-8) -1.73 -4.07 -52.32 5 6 1 106 186.191 3
Lo Low (pH 4.5-6) -1.55 -6.6 -46.03 4 6 0 112 185.183 3

Activity (Go SEA)

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