UCSF

ZINC34984960

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 34 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) 3.38 6.86 -58.93 2 7 1 73 471.618 5
Hi High (pH 8-9.5) 3.38 5.14 -14.01 1 7 0 71 470.61 5
Mid Mid (pH 6-8) 3.38 7.6 -36.71 2 7 1 73 471.618 5
Mid Mid (pH 6-8) 3.38 9.31 -102.64 3 7 2 74 472.626 5

Activity (Go SEA)

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