UCSF

ZINC42717053

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 15 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) 0.91 8.21 -112.62 2 4 1 49 217.333 9
Mid Mid (pH 6-8) 0.91 5.91 -62.42 1 4 0 48 216.325 9
Mid Mid (pH 6-8) 0.91 6.07 -52.87 1 4 0 48 216.325 9

Activity (Go SEA)

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