UCSF

ZINC37788381

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 3.74 9.14 -45.87 2 3 1 43 302.847 6
Hi High (pH 8-9.5) 3.74 8.33 -6.04 1 3 0 38 301.839 6

Activity (Go SEA)

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