UCSF

ZINC21739003

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 29 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) 3.33 8.67 -12.29 1 9 0 116 434.547 7
Hi High (pH 8-9.5) 3.79 7.87 -35.73 0 9 -1 119 433.539 7

Activity (Go SEA)

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