UCSF

ZINC41665935

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 36 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) 4.44 8.43 -17.9 0 8 0 80 489.524 7
Lo Low (pH 4.5-6) 4.44 11.29 -53.05 1 8 1 81 490.532 7

Activity (Go SEA)

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