UCSF

ZINC06382915

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2006 27 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) 3.10 0.68 -13.85 1 5 0 70 383.4 5
Mid Mid (pH 6-8) 2.51 0.55 -21.15 0 5 0 67 383.4 5

Activity (Go SEA)

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