UCSF

ZINC35307355

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 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) -1.34 -1.71 -46.53 4 6 1 78 243.331 6
Lo Low (pH 4.5-6) -1.34 0.55 -124.55 5 6 2 79 244.339 6

Activity (Go SEA)

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