UCSF

ZINC35512944

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 27 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) 0.78 1.17 -14.21 1 9 0 118 387.421 6
Lo Low (pH 4.5-6) 0.78 1.57 -46.76 2 9 1 120 388.429 6

Activity (Go SEA)

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