UCSF

ZINC04265901

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 28 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) 5.35 11.16 -10.74 1 5 0 56 369.424 4
Mid Mid (pH 6-8) 5.35 11.51 -29.25 2 5 1 58 370.432 4

Activity (Go SEA)

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