UCSF

ZINC21794034

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 18 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) 4.18 7.41 -34.91 2 2 1 20 290.258 5
Hi High (pH 8-9.5) 4.18 5.76 -1.12 1 2 0 15 289.25 5
Mid Mid (pH 6-8) 4.18 9.25 -111.61 3 2 2 21 291.266 5
Mid Mid (pH 6-8) 4.18 8.3 -31.75 2 2 1 16 290.258 5

Activity (Go SEA)

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