UCSF

ZINC39853960

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) 5.24 8.99 -11.17 1 5 0 64 352.434 7
Ref Reference (pH 7) 5.24 9.71 -12.74 1 5 0 64 352.434 7
Hi High (pH 8-9.5) 5.24 10.83 -65.59 0 5 -1 67 351.426 7
Hi High (pH 8-9.5) 5.24 10 -58.6 0 5 -1 67 351.426 7

Activity (Go SEA)

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