UCSF

ZINC31943489

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 21 No

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) 2.04 7.44 -20.78 2 4 0 57 296.399 3
Lo Low (pH 4.5-6) 2.04 7.86 -36.63 3 4 1 58 297.407 3

Activity (Go SEA)

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