UCSF

ZINC20219528

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 37 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) 2.78 8.34 -61.3 0 9 -1 99 503.579 9
Mid Mid (pH 6-8) 2.78 10.67 -73 1 9 0 101 504.587 9
Lo Low (pH 4.5-6) 2.78 9.85 -52.51 2 9 1 98 505.595 9

Activity (Go SEA)

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