UCSF

ZINC41584333

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 35 No

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) 5.07 8.95 -10.59 1 6 0 72 473.569 10
Hi High (pH 8-9.5) 5.07 9.71 -50.21 0 6 -1 75 472.561 10
Mid Mid (pH 6-8) 5.07 11.94 -36.81 1 6 0 76 473.569 10
Mid Mid (pH 6-8) 5.07 11.16 -40.89 2 6 1 73 474.577 10

Activity (Go SEA)

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