UCSF

ZINC13223275

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 15 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) 2.64 4.46 -9.36 0 3 0 31 203.241 2
Lo Low (pH 4.5-6) 2.64 4.95 -26.89 1 3 1 33 204.249 2

Activity (Go SEA)

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