UCSF

ZINC43975481

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 19 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) 3.74 7.99 -107.59 3 3 2 30 272.477 9
Hi High (pH 8-9.5) 3.74 5.99 -34.86 2 3 1 29 271.469 9
Hi High (pH 8-9.5) 3.74 4.81 -0.59 1 3 0 24 270.461 9
Mid Mid (pH 6-8) 3.74 6.81 -29.82 2 3 1 26 271.469 9

Activity (Go SEA)

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