UCSF

ZINC42944489

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) 2.76 6.23 -120.66 4 3 2 35 311.901 5
Mid Mid (pH 6-8) 2.76 7.58 -101.54 4 3 2 35 311.901 5
Mid Mid (pH 6-8) 2.76 5.94 -36.46 3 3 1 34 310.893 5

Activity (Go SEA)

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