UCSF

ZINC37019574

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 2.31 3.87 -47.38 4 5 1 83 271.381 6
Mid Mid (pH 6-8) 2.31 4.09 -8.39 3 5 0 81 270.373 6

Activity (Go SEA)

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