UCSF

ZINC24152028

Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2009 20 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) 4.44 4.56 -14.87 4 4 0 75 311.168 2
Hi High (pH 8-9.5) 4.44 5.59 -57.92 3 4 -1 78 310.16 2

Activity (Go SEA)

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