UCSF

ZINC01949990

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 27 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) 4.68 7.49 -19.52 2 6 0 84 450.72 6
Ref Reference (pH 7) 4.68 7.61 -14.56 2 6 0 84 450.72 6
Hi High (pH 8-9.5) 5.14 5.59 -53.5 1 6 -1 87 449.712 6
Hi High (pH 8-9.5) 5.59 6.07 -45.79 1 6 -1 90 449.712 6
Hi High (pH 8-9.5) 5.14 5.86 -41.14 1 6 -1 87 449.712 6

Activity (Go SEA)

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