UCSF

ZINC35837059

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 30 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) 3.44 13.85 -14.4 0 6 0 53 409.509 3
Lo Low (pH 4.5-6) 3.44 14.24 -32.94 1 6 1 54 410.517 3
Lo Low (pH 4.5-6) 3.44 14.21 -34.74 1 6 1 54 410.517 3

Activity (Go SEA)

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