UCSF

ZINC59326253

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2011 14 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) -1.90 2.69 -62.73 3 5 0 88 200.238 2
Hi High (pH 8-9.5) -1.90 2.05 -54.42 2 5 -1 86 199.23 2

Activity (Go SEA)

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