UCSF

ZINC42946417

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 21 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) 1.84 5.29 -120.45 5 4 2 61 311.857 5
Hi High (pH 8-9.5) 1.84 3.36 -40.91 4 4 1 60 310.849 5
Mid Mid (pH 6-8) 1.84 4.97 -34.56 4 4 1 60 310.849 5

Activity (Go SEA)

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