UCSF

ZINC22061234

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 29 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) 4.82 12.49 -39.12 2 3 1 34 388.531 9
Hi High (pH 8-9.5) 4.82 9.88 -7.95 1 3 0 33 387.523 9

Activity (Go SEA)

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