UCSF

ZINC42269712

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 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) 2.25 7.4 -111.39 3 3 2 30 242.407 5
Mid Mid (pH 6-8) 2.25 6.12 -33.5 2 3 1 26 241.399 5
Mid Mid (pH 6-8) 2.25 5.64 -31.68 2 3 1 29 241.399 5

Activity (Go SEA)

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