UCSF

ZINC37870085

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 15 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) 2.54 3.19 -41.98 4 3 1 60 215.361 8
Hi High (pH 8-9.5) 2.54 1.95 -5.21 3 3 0 55 214.353 8

Activity (Go SEA)

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