UCSF

ZINC39898175

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 31 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) 3.69 3.96 -10.99 3 8 0 108 508.756 6
Hi High (pH 8-9.5) 3.49 3.6 -50.19 1 8 -1 107 507.748 6
Mid Mid (pH 6-8) 3.69 4.73 -47.09 2 8 -1 111 507.748 6

Activity (Go SEA)

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