UCSF

ZINC43240879

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 1.76 3.27 -39.69 3 4 1 49 301.476 10
Hi High (pH 8-9.5) 1.76 2.95 -3.26 2 4 0 48 300.468 10
Mid Mid (pH 6-8) 1.76 4.62 -25.98 3 4 1 49 301.476 10
Mid Mid (pH 6-8) 1.76 4.9 -101.46 4 4 2 51 302.484 10

Activity (Go SEA)

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