UCSF

ZINC43902837

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 14 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) 0.95 4.58 -106.81 3 3 2 30 200.326 2
Hi High (pH 8-9.5) 0.95 1.97 -1.14 1 3 0 24 198.31 2
Mid Mid (pH 6-8) 0.95 3.62 -29.65 2 3 1 26 199.318 2

Activity (Go SEA)

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