UCSF

ZINC37229339

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 1.89 7.36 -107.16 3 3 2 24 265.445 6
Mid Mid (pH 6-8) 1.89 5.13 -40.6 2 3 1 23 264.437 6

Activity (Go SEA)

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