UCSF

ZINC43969655

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 18 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) 2.88 7.19 -100.11 3 3 2 30 256.434 6
Hi High (pH 8-9.5) 2.88 3.8 -1.19 1 3 0 24 254.418 6
Hi High (pH 8-9.5) 2.88 5.41 -29.5 2 3 1 29 255.426 6
Hi High (pH 8-9.5) 2.88 7.32 -25.08 2 3 1 26 255.426 6

Activity (Go SEA)

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