UCSF

ZINC41662664

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 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) 3.85 8.88 -15.1 0 7 0 66 460.53 5
Lo Low (pH 4.5-6) 3.85 11.8 -55.28 1 7 1 67 461.538 5

Activity (Go SEA)

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