UCSF

ZINC05884105

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 19 Yes

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) 3.04 5.91 -10.43 1 4 0 59 341.23 3
Hi High (pH 8-9.5) 3.04 5.95 -41.71 0 4 -1 61 340.222 3
Lo Low (pH 4.5-6) 3.04 6.08 -33.82 2 4 1 60 342.238 3

Activity (Go SEA)

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