UCSF

ZINC40632530

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 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) 2.64 2.42 -45.68 4 4 1 66 345.257 8
Hi High (pH 8-9.5) 2.64 1.22 -9.46 3 4 0 62 344.249 8

Activity (Go SEA)

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