UCSF

ZINC39114209

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 13 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) 2.00 3.07 -36.94 2 2 1 20 181.303 1
Mid Mid (pH 6-8) 2.00 4.03 -30.66 2 2 1 16 181.303 1
Mid Mid (pH 6-8) 2.00 5.33 -108.47 3 2 2 21 182.311 1

Activity (Go SEA)

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