UCSF

ZINC16669748

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2008 24 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) 3.08 5.94 -12.11 2 8 0 120 389.165 3
Hi High (pH 8-9.5) 3.54 4.19 -37.33 1 8 -1 123 388.157 3
Hi High (pH 8-9.5) 3.54 3.88 -47.6 1 8 -1 123 388.157 3

Activity (Go SEA)

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