UCSF

ZINC43253364

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 2.21 5.8 -33.75 3 3 1 40 289.852 5
Hi High (pH 8-9.5) 2.21 3.99 -2.42 2 3 0 38 288.844 5
Mid Mid (pH 6-8) 2.21 6.07 -118.03 4 3 2 41 290.86 5
Mid Mid (pH 6-8) 2.21 4.31 -46.25 3 3 1 40 289.852 5

Activity (Go SEA)

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