UCSF

ZINC19956294

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 33 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) 2.56 7.99 -78.33 2 8 0 104 454.523 9
Hi High (pH 8-9.5) 2.56 5.45 -62.01 1 8 -1 102 453.515 9
Lo Low (pH 4.5-6) 2.56 7.17 -59.67 3 8 1 101 455.531 9

Activity (Go SEA)

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