UCSF

ZINC42824643

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 2.07 5.87 -28.52 2 3 1 26 241.399 2
Hi High (pH 8-9.5) 2.07 5.18 -28.5 2 3 1 29 241.399 2
Mid Mid (pH 6-8) 2.07 6.77 -99.2 3 3 2 30 242.407 2

Activity (Go SEA)

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