UCSF

ZINC40120031

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 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) 2.21 8.11 -13.27 0 5 0 44 409.914 5
Mid Mid (pH 6-8) 2.21 10.26 -47.38 1 5 1 45 410.922 5

Activity (Go SEA)

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