UCSF

ZINC43251879

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.39 2.27 -39.39 4 3 1 51 289.852 4
Hi High (pH 8-9.5) 1.39 1.61 -3.58 3 3 0 49 288.844 4
Mid Mid (pH 6-8) 1.39 3.95 -37.64 4 3 1 51 289.852 4
Mid Mid (pH 6-8) 1.39 4.27 -119.09 5 3 2 52 290.86 4

Activity (Go SEA)

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