UCSF

ZINC21886145

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 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) 3.44 11.23 -52.12 2 6 1 63 408.57 7
Lo Low (pH 4.5-6) 3.44 11.57 -85.24 3 6 2 64 409.578 7

Activity (Go SEA)

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