UCSF

ZINC34379991

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 34 No

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) -0.74 10.11 -67.99 2 10 -1 153 465.438 5
Hi High (pH 8-9.5) -0.74 9.1 -134.33 1 10 -2 148 464.43 5
Hi High (pH 8-9.5) -0.74 9.15 -133.26 1 10 -2 148 464.43 5
Mid Mid (pH 6-8) -0.74 8.11 -31.79 3 10 0 150 466.446 5
Lo Low (pH 4.5-6) -0.74 8.19 -38.92 3 10 0 150 466.446 5

Activity (Go SEA)

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