UCSF

ZINC63829547

Substance Information

In ZINC since Heavy atoms Benign functionality
June 6th, 2011 24 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) 4.00 10.4 -53.5 1 3 1 25 337.365 6
Hi High (pH 8-9.5) 4.00 7.83 -6.61 0 3 0 24 336.357 6

Activity (Go SEA)

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