UCSF

ZINC38733739

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.86 11.17 -43.11 1 6 1 68 392.479 6
Lo Low (pH 4.5-6) 2.86 11.73 -91.89 2 6 2 69 393.487 6

Activity (Go SEA)

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