UCSF

ZINC36637666

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 32 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) 5.86 13.94 -50.4 1 5 1 47 446.596 7
Hi High (pH 8-9.5) 5.86 11.48 -13.28 0 5 0 46 445.588 7

Activity (Go SEA)

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