UCSF

ZINC34667507

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 36 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) 3.70 10.96 -17.29 1 7 0 75 498.505 7
Lo Low (pH 4.5-6) 3.70 11.31 -48.96 2 7 1 76 499.513 7

Activity (Go SEA)

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