UCSF

ZINC69702551

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 25 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) 2.74 9.53 -47.33 2 5 1 50 339.463 4
Mid Mid (pH 6-8) 2.74 7.4 -10.31 1 5 0 48 338.455 4

Activity (Go SEA)

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