UCSF

ZINC40176340

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 17 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) -0.67 1.72 -23.31 3 5 0 93 230.223 2
Hi High (pH 8-9.5) 0.63 1.78 -59.69 2 5 -1 96 229.215 2

Activity (Go SEA)

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