UCSF

ZINC42946160

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 19 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) 2.70 6.22 -114.08 4 3 2 41 286.847 8
Mid Mid (pH 6-8) 2.70 5.94 -33.33 3 3 1 40 285.839 8
Mid Mid (pH 6-8) 2.70 4.29 -39.69 3 3 1 40 285.839 8

Activity (Go SEA)

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