UCSF

ZINC35553216

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 36 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) 6.12 16.48 -41.28 1 5 1 37 504.768 7
Lo Low (pH 4.5-6) 6.12 18.71 -131.59 2 5 2 38 505.776 7

Activity (Go SEA)

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