UCSF

ZINC27933939

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 16 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) 2.40 2.26 -36.99 0 4 -1 61 273.746 3
Lo Low (pH 4.5-6) 2.40 2.19 -10.46 1 4 0 59 274.754 3
Lo Low (pH 4.5-6) 2.40 2.7 -29.63 1 4 0 62 274.754 3

Activity (Go SEA)

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