UCSF

ZINC21639737

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 22 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) 3.67 11.42 -44.09 2 4 1 42 301.389 4
Hi High (pH 8-9.5) 3.67 9.38 -6.3 1 4 0 41 300.381 4

Activity (Go SEA)

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