UCSF

ZINC36171004

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) 1.22 7.72 -98.26 4 3 2 35 291.483 4
Hi High (pH 8-9.5) 1.22 5.52 -38.08 3 3 1 34 290.475 4
Hi High (pH 8-9.5) 1.22 4.71 -2.6 2 3 0 32 289.467 4
Mid Mid (pH 6-8) 1.22 6.92 -37.37 3 3 1 34 290.475 4

Activity (Go SEA)

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