UCSF

ZINC35761579

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 29 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) 2.51 7.98 -10.48 1 6 0 66 400.567 7
Lo Low (pH 4.5-6) 2.51 9.83 -46.08 2 6 1 67 401.575 7
Lo Low (pH 4.5-6) 2.51 10.29 -96.26 3 6 2 68 402.583 7

Activity (Go SEA)

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