UCSF

ZINC43912392

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 20 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) 2.01 4.56 -40.33 2 4 1 38 281.42 10
Hi High (pH 8-9.5) 2.01 3.35 -3.6 1 4 0 34 280.412 10
Mid Mid (pH 6-8) 2.01 4.3 -29.73 2 4 1 35 281.42 10

Activity (Go SEA)

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