UCSF

ZINC41669134

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 Yes

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) 6.05 9.55 -8.59 0 5 0 52 487.499 6
Lo Low (pH 4.5-6) 6.05 12.4 -52.6 1 5 1 53 488.507 6

Activity (Go SEA)

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