UCSF

ZINC35837323

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 31 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) 3.95 14.89 -13.1 0 6 0 53 423.536 3
Lo Low (pH 4.5-6) 3.95 15.22 -33.04 1 6 1 54 424.544 3
Lo Low (pH 4.5-6) 3.95 15.08 -34.78 1 6 1 54 424.544 3

Activity (Go SEA)

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