UCSF

ZINC39310574

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 11 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) 0.40 1.53 -23.67 5 4 1 69 153.209 1
Hi High (pH 8-9.5) 0.40 1.14 -6.33 4 4 0 68 152.201 1

Activity (Go SEA)

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