UCSF

ZINC37811914

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 13 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) 0.14 2.88 -37.96 2 4 1 46 189.279 6
Hi High (pH 8-9.5) 0.14 1.44 -6.07 1 4 0 42 188.271 6

Activity (Go SEA)

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