UCSF

ZINC42681170

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.89 3.84 -29.92 2 3 1 28 241.399 3
Mid Mid (pH 6-8) 1.89 3.88 -34.39 2 3 1 28 241.399 3
Mid Mid (pH 6-8) 1.89 6.08 -96.05 3 3 2 29 242.407 3

Activity (Go SEA)

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