UCSF

ZINC34962638

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 4.81 9.97 -37.34 3 2 1 30 419.739 4
Hi High (pH 8-9.5) 4.81 7.45 -2.42 2 2 0 29 418.731 4

Activity (Go SEA)

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