UCSF

ZINC31997303

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 22 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) 2.88 6.61 -54.93 0 4 -1 53 296.346 4
Lo Low (pH 4.5-6) 2.88 8.96 -69.49 1 4 0 54 297.354 4

Activity (Go SEA)

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