UCSF

ZINC26219078

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 22 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) 2.68 4.94 -10.11 3 3 0 55 308.303 6
Mid Mid (pH 6-8) 2.68 6.16 -44.38 4 3 1 60 309.311 6

Activity (Go SEA)

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