UCSF

ZINC41651657

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 31 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 5.23 9.9 -8.48 0 5 0 46 418.537 3
Mid Mid (pH 6-8) 5.23 12.9 -44.53 1 5 1 47 419.545 3
Lo Low (pH 4.5-6) 5.23 13.66 -105.53 2 5 0 48 420.553 3

Activity (Go SEA)

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