UCSF

ZINC37810525

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 17 No

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) 0.44 5.46 -31.93 2 4 1 46 259.395 7
Hi High (pH 8-9.5) 0.44 4.19 -10.02 1 4 0 42 258.387 7

Activity (Go SEA)

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