UCSF

ZINC04249130

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 22 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) 2.17 5.51 -16.86 1 6 0 67 336.442 4
Hi High (pH 8-9.5) 2.17 5.6 -53.01 0 6 -1 69 335.434 4

Activity (Go SEA)

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