UCSF

ZINC06473999

Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2006 17 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) 2.26 1.38 -60.55 1 5 -1 78 225.231 1
Lo Low (pH 4.5-6) 1.80 3.17 -8.75 2 5 0 74 226.239 1

Activity (Go SEA)

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