UCSF

ZINC33834563

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 17 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) 1.54 2.44 -30.28 4 4 1 61 232.307 2
Lo Low (pH 4.5-6) 1.54 2.32 -87.04 5 4 2 63 233.315 2

Activity (Go SEA)

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