UCSF

ZINC43970106

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.24 6.86 -99.93 3 3 2 30 242.407 8
Hi High (pH 8-9.5) 2.24 3.39 -2.49 1 3 0 24 240.391 8
Hi High (pH 8-9.5) 2.24 5.74 -26.54 2 3 1 26 241.399 8
Mid Mid (pH 6-8) 2.24 4.52 -33.91 2 3 1 29 241.399 8

Activity (Go SEA)

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