UCSF

ZINC24641160

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2009 28 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) 1.82 8.2 -14.62 1 7 0 84 382.464 6
Mid Mid (pH 6-8) 1.82 8.69 -33.62 2 7 1 86 383.472 6
Mid Mid (pH 6-8) 1.82 8.76 -34.61 2 7 1 86 383.472 6
Mid Mid (pH 6-8) 1.82 8.69 -33.61 2 7 1 86 383.472 6

Activity (Go SEA)

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