UCSF

ZINC42450213

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 21 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) 0.96 3.68 -19.05 3 6 0 95 303.391 6
Mid Mid (pH 6-8) 0.96 5.73 -60.66 4 6 1 96 304.399 6
Mid Mid (pH 6-8) 0.77 4.91 -49.21 3 6 0 103 303.391 6

Activity (Go SEA)

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