UCSF

ZINC06420729

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 30 No

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) 4.11 10.92 -12.08 1 5 0 71 401.462 6
Mid Mid (pH 6-8) 3.53 11.61 -18.26 0 5 0 68 401.462 6

Activity (Go SEA)

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