UCSF

ZINC37782796

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 0.41 3.45 -41.81 2 5 1 63 241.34 5
Hi High (pH 8-9.5) 0.41 2.37 -12.88 1 5 0 58 240.332 5

Activity (Go SEA)

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