UCSF

ZINC43286870

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 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) 2.13 4.88 -32.05 3 3 1 40 322.292 7
Hi High (pH 8-9.5) 2.13 3 -2.08 2 3 0 38 321.284 7
Mid Mid (pH 6-8) 2.13 3.57 -41.49 3 3 1 40 322.292 7
Mid Mid (pH 6-8) 2.13 5.45 -108.94 4 3 2 41 323.3 7

Activity (Go SEA)

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