UCSF

ZINC44513789

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 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) -1.60 3.87 -99.74 8 7 2 123 239.327 3
Hi High (pH 8-9.5) -1.60 1.64 -48.05 7 7 1 122 238.319 3

Activity (Go SEA)

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