UCSF

ZINC42946706

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 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) 1.85 3.61 -112.84 5 3 2 52 272.82 6
Mid Mid (pH 6-8) 1.85 1.7 -44.28 4 3 1 51 271.812 6
Mid Mid (pH 6-8) 1.85 3.31 -32.9 4 3 1 51 271.812 6

Activity (Go SEA)

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