UCSF

ZINC06785492

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 30 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) 4.40 11.36 -61.99 0 5 -1 74 400.454 6
Mid Mid (pH 6-8) 4.84 1.97 -18.53 1 5 0 70 401.462 5

Activity (Go SEA)

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