UCSF

ZINC41061121

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 16 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) 3.15 6.52 -33.35 2 2 1 29 239.408 3
Hi High (pH 8-9.5) 3.15 5.77 -3.81 1 2 0 25 238.4 3

Activity (Go SEA)

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