UCSF

ZINC36296725

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 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) -1.86 -2.68 -59.13 5 8 1 131 289.337 3
Mid Mid (pH 6-8) -1.40 -4.42 -72.73 4 8 0 134 288.329 3
Mid Mid (pH 6-8) -1.40 -5.28 -81.71 4 8 0 134 288.329 3

Activity (Go SEA)

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