UCSF

ZINC42387134

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 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) 2.61 5.83 -83.3 3 4 2 43 281.444 8
Hi High (pH 8-9.5) 2.61 5.73 -34.15 2 4 1 39 280.436 8
Mid Mid (pH 6-8) 2.61 5.3 -35.49 2 4 1 42 280.436 8

Activity (Go SEA)

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