UCSF

ZINC49591355

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 17 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) 1.72 6.78 -107.91 3 3 2 34 255.431 6
Hi High (pH 8-9.5) 1.72 5.57 -35.74 2 3 1 29 254.423 6
Hi High (pH 8-9.5) 1.72 3.44 -4.83 1 3 0 28 253.415 6

Activity (Go SEA)

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