UCSF

ZINC51649688

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2010 18 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) -0.04 1.64 -43.18 3 6 1 72 260.358 10
Hi High (pH 8-9.5) -0.04 -0.62 -11.6 2 6 0 71 259.35 10

Activity (Go SEA)

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