UCSF

ZINC37820319

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.38 3.77 -44.57 2 5 1 63 224.284 3
Hi High (pH 8-9.5) 0.38 2.32 -13.43 1 5 0 58 223.276 3

Activity (Go SEA)

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