UCSF

ZINC38003599

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 20 No

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) 0.58 1.36 -54.51 5 5 1 89 290.265 7
Hi High (pH 8-9.5) 0.58 0 -12.46 4 5 0 84 289.257 7

Activity (Go SEA)

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