UCSF

ZINC22054980

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 28 No

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) -1.88 9.24 -79.53 2 8 -1 120 388.444 7
Hi High (pH 8-9.5) -1.88 8.33 -137.54 1 8 -2 116 387.436 7

Activity (Go SEA)

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