UCSF

ZINC43339928

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 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) 2.33 6.14 -39.7 3 3 1 44 262.421 5
Mid Mid (pH 6-8) 2.33 7.42 -27.46 3 3 1 43 262.421 5
Lo Low (pH 4.5-6) 2.33 6.06 -106.71 4 3 2 45 263.429 5

Activity (Go SEA)

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