UCSF

ZINC13282180

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 28 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) 2.84 8.86 -10.52 0 5 0 63 375.472 2
Lo Low (pH 4.5-6) 2.84 9.16 -36.97 1 5 1 64 376.48 2

Activity (Go SEA)

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