UCSF

ZINC41672022

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 15 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) -0.15 -0.47 -43.76 4 4 1 63 226.325 3
Hi High (pH 8-9.5) -0.15 -1.81 -8.77 3 4 0 58 225.317 3

Activity (Go SEA)

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