UCSF

ZINC49547551

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 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) 1.55 3.82 -41.82 4 3 1 57 213.345 4
Hi High (pH 8-9.5) 1.55 3.42 -5.4 3 3 0 55 212.337 4

Activity (Go SEA)

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