UCSF

ZINC39134471

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 10 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) -0.18 1.16 -53.73 3 3 1 44 156.234 1
Hi High (pH 8-9.5) -0.18 0.85 -6.41 2 3 0 42 155.226 1

Activity (Go SEA)

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