UCSF

ZINC39853912

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 26 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) 5.26 9.67 -11.47 1 5 0 64 352.434 7
Hi High (pH 8-9.5) 5.26 10.8 -63.48 0 5 -1 67 351.426 7
Hi High (pH 8-9.5) 5.26 9.98 -56.88 0 5 -1 67 351.426 7

Activity (Go SEA)

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