UCSF

ZINC35220781

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 18 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) 3.33 5.96 -45.39 3 3 1 48 253.41 3
Hi High (pH 8-9.5) 3.33 5.84 -4.94 2 3 0 46 252.402 3

Activity (Go SEA)

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