UCSF

ZINC39265299

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 35 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) 4.89 10.81 -19.01 1 8 0 90 485.514 6
Lo Low (pH 4.5-6) 4.89 12.97 -62.43 2 8 1 91 486.522 6

Activity (Go SEA)

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