UCSF

ZINC42163670

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 1.19 6.39 -46.29 1 4 0 48 240.347 5
Mid Mid (pH 6-8) 1.19 8.61 -104.73 2 4 1 49 241.355 5
Mid Mid (pH 6-8) 1.19 6.28 -58.54 1 4 0 48 240.347 5

Activity (Go SEA)

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