UCSF

ZINC19898795

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 28 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) 3.31 11.34 -73.31 1 5 0 65 378.472 6
Hi High (pH 8-9.5) 3.31 8.8 -59.46 0 5 -1 64 377.464 6
Lo Low (pH 4.5-6) 3.31 10.51 -51.26 2 5 1 62 379.48 6

Activity (Go SEA)

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