UCSF

ZINC51763375

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2010 19 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) -0.66 2.53 -43.08 2 6 1 57 271.385 6
Hi High (pH 8-9.5) -0.66 0.15 -13.01 1 6 0 56 270.377 6
Mid Mid (pH 6-8) -0.66 4.74 -101.01 3 6 2 58 272.393 6

Activity (Go SEA)

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