UCSF

ZINC40060420

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 27 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) 3.14 6.61 -13.22 1 6 0 66 375.444 5
Mid Mid (pH 6-8) 3.14 8.77 -44.15 2 6 1 67 376.452 5

Activity (Go SEA)

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