UCSF

ZINC37482098

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 16 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) -1.24 -1.01 -92.29 6 6 2 90 230.312 6
Hi High (pH 8-9.5) -1.24 -1.42 -43.78 5 6 1 89 229.304 6

Activity (Go SEA)

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