UCSF

ZINC36419244

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 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) 5.97 15 -45.84 1 5 1 49 504.672 9
Hi High (pH 8-9.5) 5.97 12.78 -9.87 0 5 0 48 503.664 9

Activity (Go SEA)

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