UCSF

ZINC34942036

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 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) 4.22 12.3 -62.02 0 7 -1 92 505.55 9
Lo Low (pH 4.5-6) 4.22 11.54 -16.17 1 7 0 89 506.558 9

Activity (Go SEA)

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