UCSF

ZINC34943655

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) 5.19 12.84 -59.81 0 6 -1 79 470.545 9
Lo Low (pH 4.5-6) 5.19 11.95 -13.02 1 6 0 76 471.553 9

Activity (Go SEA)

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