UCSF

ZINC34930347

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 35 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) 6.22 13.12 -53.22 0 6 -1 83 503.987 7
Lo Low (pH 4.5-6) 6.22 12.37 -11.49 1 6 0 80 504.995 7

Activity (Go SEA)

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