UCSF

ZINC37118445

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 20 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) 2.98 4.47 -41.88 3 3 1 40 275.416 3
Mid Mid (pH 6-8) 2.98 5.65 -36.16 3 3 1 37 275.416 3
Lo Low (pH 4.5-6) 2.98 6.68 -111.64 4 3 2 41 276.424 3

Activity (Go SEA)

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