UCSF

ZINC26143467

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 30 Yes

Download: MOL2 SDF SMILES Flexibase

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) 4.10 10.08 -51.3 2 4 -1 81 409.546 7
Lo Low (pH 4.5-6) 4.10 8.96 -13.49 3 4 0 78 410.554 7

Activity (Go SEA)

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