UCSF

ZINC02614431

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2004 30 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) 7.98 13.38 -17.42 1 3 0 46 473.45 4
Mid Mid (pH 6-8) 8.36 12.15 -52.45 0 3 -1 49 472.442 4

Activity (Go SEA)

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