UCSF

ZINC37243143

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 21 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) 2.25 5.3 -13.95 1 3 0 46 321.829 3
Mid Mid (pH 6-8) 2.25 6.49 -69.99 2 3 1 51 322.837 3

Activity (Go SEA)

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