UCSF

ZINC44609614

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) 0.38 3.33 -42.94 3 3 1 44 226.369 3
Mid Mid (pH 6-8) 0.38 4.6 -29.92 3 3 1 43 226.369 3
Mid Mid (pH 6-8) 0.38 4.89 -118.26 4 3 2 45 227.377 3

Activity (Go SEA)

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