UCSF

ZINC35457503

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 37 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) 4.34 13.92 -11.96 0 7 0 79 498.627 6
Lo Low (pH 4.5-6) 4.34 14.34 -45.14 1 7 1 80 499.635 6

Activity (Go SEA)

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