UCSF

ZINC58659805

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2011 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) 2.56 6.01 -35.9 1 3 1 11 345.28 5
Hi High (pH 8-9.5) 2.56 3.52 -3.36 0 3 0 10 344.272 5
Mid Mid (pH 6-8) 2.56 8.27 -90.42 2 3 2 12 346.288 5

Activity (Go SEA)

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