UCSF

ZINC43401321

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 1.68 6.29 -33.98 4 4 1 68 261.393 3
Mid Mid (pH 6-8) 1.68 6.34 -4.96 3 4 0 66 260.385 3
Lo Low (pH 4.5-6) 1.68 6.67 -90.04 5 4 2 69 262.401 3

Activity (Go SEA)

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