UCSF

ZINC66697162

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2011 23 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) 2.73 7.38 -42.58 2 6 1 63 326.461 6
Hi High (pH 8-9.5) 2.73 5.16 -10.92 1 6 0 62 325.453 6

Activity (Go SEA)

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