UCSF

ZINC36638039

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 31 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) 6.00 13.59 -39.07 1 5 1 47 444.596 11
Hi High (pH 8-9.5) 6.00 11.74 -10.93 0 5 0 46 443.588 11

Activity (Go SEA)

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