UCSF

ZINC37856577

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) 2.37 3.7 -5.9 2 2 0 32 251.326 5
Mid Mid (pH 6-8) 2.37 5.11 -47.67 3 2 1 37 252.334 5

Activity (Go SEA)

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