UCSF

ZINC39853968

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) 5.00 8.3 -12.88 1 5 0 64 352.434 6
Ref Reference (pH 7) 5.00 8.97 -14.26 1 5 0 64 352.434 6
Hi High (pH 8-9.5) 5.00 10.09 -66.77 0 5 -1 67 351.426 6
Hi High (pH 8-9.5) 5.00 9.31 -59.36 0 5 -1 67 351.426 6

Activity (Go SEA)

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