UCSF

ZINC08437363

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 36 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) 8.22 4.33 -18.41 0 4 0 34 507.424 5
Mid Mid (pH 6-8) 8.22 4.49 -31.73 1 4 1 35 508.432 5

Activity (Go SEA)

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