UCSF

ZINC43912680

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) 2.05 5.8 -39.59 2 4 1 38 281.42 11
Hi High (pH 8-9.5) 2.05 3.77 -4.26 1 4 0 34 280.412 11
Mid Mid (pH 6-8) 2.05 6.2 -31.72 2 4 1 35 281.42 11

Activity (Go SEA)

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