UCSF

ZINC41586704

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 25 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.61 6.06 -10.4 0 5 0 56 336.391 2
Lo Low (pH 4.5-6) 2.61 6.51 -42.85 1 5 1 57 337.399 2

Activity (Go SEA)

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