UCSF

ZINC35022393

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 38 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) 6.50 13.5 -59.31 0 7 -1 88 522.662 16
Lo Low (pH 4.5-6) 6.50 12.75 -14.04 1 7 0 85 523.67 16

Activity (Go SEA)

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