UCSF

ZINC16517412

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2008 28 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) 2.27 2.32 -51.71 1 8 -1 106 382.396 8
Lo Low (pH 4.5-6) 2.27 1.59 -16.08 2 8 0 103 383.404 8

Activity (Go SEA)

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