UCSF

ZINC25262785

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 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) 1.27 2.84 -53.04 3 5 1 64 316.175 5
Hi High (pH 8-9.5) 1.27 1.41 -12.98 2 5 0 60 315.167 5

Activity (Go SEA)

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