UCSF

ZINC44608960

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 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) 0.80 4.44 -109.84 4 4 2 48 298.5 6
Hi High (pH 8-9.5) 0.80 4.08 -36.44 3 4 1 47 297.492 6

Activity (Go SEA)

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