UCSF

ZINC42902217

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 18 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) 1.48 5.86 -109.09 4 3 2 41 250.386 7
Mid Mid (pH 6-8) 1.48 3.35 -43.91 3 3 1 40 249.378 7
Mid Mid (pH 6-8) 1.48 5.59 -29.32 3 3 1 40 249.378 7

Activity (Go SEA)

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