UCSF

ZINC34943029

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 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) 5.16 15.49 -77.33 1 6 0 74 498.623 10
Lo Low (pH 4.5-6) 5.16 14.6 -47.15 2 6 1 71 499.631 10

Activity (Go SEA)

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