UCSF

ZINC37140865

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 21 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) 1.88 4.71 -36.42 3 4 1 49 286.399 3
Hi High (pH 8-9.5) 1.88 5.94 -37.96 3 4 1 46 286.399 3
Lo Low (pH 4.5-6) 1.88 6.9 -107.08 4 4 2 50 287.407 3

Activity (Go SEA)

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