UCSF

ZINC43410404

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 2.17 7.62 -37.2 4 4 1 68 301.439 4
Mid Mid (pH 6-8) 2.17 8.6 -6.81 3 4 0 66 300.431 4
Lo Low (pH 4.5-6) 2.17 8.03 -91.47 5 4 2 69 302.447 4

Activity (Go SEA)

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