UCSF

ZINC03962930

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2005 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 4.35 0.12 -43.97 2 3 1 37 333.455 3
Lo Low (pH 4.5-6) 4.35 0.22 -86.95 3 3 2 38 334.463 3

Activity (Go SEA)

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