UCSF

ZINC06423983

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 29 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) 3.60 11.03 -52.15 0 5 -1 74 390.39 6
Mid Mid (pH 6-8) 3.60 9.96 -11.67 1 5 0 71 391.398 6
Mid Mid (pH 6-8) 3.02 10.33 -11.14 0 5 0 68 391.398 6

Activity (Go SEA)

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