UCSF

ZINC21813191

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 15 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) -2.24 -3.38 -50.29 4 6 1 100 207.213 3
Mid Mid (pH 6-8) -2.24 -3.7 -11.66 3 6 0 98 206.205 3
Lo Low (pH 4.5-6) -2.24 -2.81 -92.65 5 6 2 101 208.221 3

Activity (Go SEA)

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