UCSF

ZINC34225723

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 16 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) 1.22 0.9 -9.05 2 5 0 76 223.228 5
Hi High (pH 8-9.5) 1.22 1.68 -41.75 1 5 -1 78 222.22 5

Activity (Go SEA)

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