UCSF

ZINC08034983

Substance Information

In ZINC since Heavy atoms Benign functionality
June 28th, 2006 33 No

Download: MOL2 SDF SMILES Flexibase

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) 2.68 5.55 -66.83 4 7 1 96 446.527 4
Hi High (pH 8-9.5) 2.68 3.84 -26.37 3 7 0 94 445.519 4

Activity (Go SEA)

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