UCSF

ZINC58506731

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2011 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 3.52 10.38 -28.27 1 3 1 22 280.395 5
Hi High (pH 8-9.5) 3.52 10.23 -8.27 0 3 0 21 279.387 5
Mid Mid (pH 6-8) 3.52 12.14 -32.93 1 3 1 22 280.395 5

Activity (Go SEA)

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