UCSF

ZINC42914127

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 2.22 8.27 -124.33 4 3 2 45 285.435 6
Mid Mid (pH 6-8) 2.22 7.97 -39.68 3 3 1 43 284.427 6
Mid Mid (pH 6-8) 2.22 6.05 -52.15 3 3 1 44 284.427 6
Lo Low (pH 4.5-6) 2.22 6.51 -100.09 4 3 2 45 285.435 6

Activity (Go SEA)

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