UCSF

ZINC21818858

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 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) 2.02 3.83 -8.14 1 4 0 37 257.337 4
Mid Mid (pH 6-8) 2.02 4.27 -30.76 2 4 1 39 258.345 4
Mid Mid (pH 6-8) 2.02 6.18 -46.93 2 4 1 39 258.345 4
Lo Low (pH 4.5-6) 2.02 6.61 -98.35 3 4 2 40 259.353 4

Activity (Go SEA)

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