UCSF

ZINC36637985

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 37 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) 6.55 15.65 -52.43 1 6 1 60 511.671 9
Hi High (pH 8-9.5) 6.55 13.6 -18.99 0 6 0 59 510.663 9

Activity (Go SEA)

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