UCSF

ZINC41651742

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 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) 3.47 6.92 -10.69 0 7 0 58 463.578 6
Mid Mid (pH 6-8) 3.47 9.19 -48.55 1 7 1 60 464.586 6
Lo Low (pH 4.5-6) 3.47 9.96 -130.8 2 7 0 61 465.594 6

Activity (Go SEA)

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