UCSF

ZINC06812800

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 0.62 3.44 -58.97 0 8 -1 99 416.479 6
Mid Mid (pH 6-8) 0.62 5.7 -68.88 1 8 0 100 417.487 6

Activity (Go SEA)

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