UCSF

ZINC51320391

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2010 20 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) 1.98 4.94 -33.57 2 3 1 28 285.358 4
Hi High (pH 8-9.5) 1.98 2.72 -4.94 1 3 0 27 284.35 4

Activity (Go SEA)

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