UCSF

ZINC08410960

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2006 25 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) 4.91 9.86 -51.13 0 6 -1 90 352.395 4
Hi High (pH 8-9.5) 5.86 7.39 -47.1 0 6 -1 94 352.395 3
Lo Low (pH 4.5-6) 4.91 10.54 -17.75 1 6 0 88 353.403 4

Activity (Go SEA)

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