UCSF

ZINC43968399

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 15 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) 2.70 7.01 -102.76 3 2 2 21 214.397 4
Mid Mid (pH 6-8) 2.70 5.21 -34.94 2 2 1 20 213.389 4
Mid Mid (pH 6-8) 2.70 5.99 -29.48 2 2 1 16 213.389 4

Activity (Go SEA)

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