UCSF

ZINC13135610

Substance Information

In ZINC since Heavy atoms Benign functionality
May 30th, 2008 24 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) 2.40 5.57 -16.89 0 5 0 67 386.926 3
Lo Low (pH 4.5-6) 2.40 6.74 -43.83 1 5 1 68 387.934 3
Lo Low (pH 4.5-6) 2.40 6.68 -47.06 1 5 1 68 387.934 3

Activity (Go SEA)

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