UCSF

ZINC36747080

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 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) 1.28 2.67 -48.33 4 3 1 60 258.139 5
Hi High (pH 8-9.5) 1.28 1.31 -8.37 3 3 0 55 257.131 5

Activity (Go SEA)

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