UCSF

ZINC21548875

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 24 No

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) 3.26 10.36 -98.48 0 5 0 87 336.452 10
Hi High (pH 8-9.5) 3.84 8.76 -103.46 0 5 -2 93 335.444 9

Activity (Go SEA)

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