UCSF

ZINC33686591

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 29 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) 4.54 7.39 -11.21 2 6 0 82 452.363 3
Hi High (pH 8-9.5) 4.54 8.15 -16.16 1 6 0 85 451.355 3
Hi High (pH 8-9.5) 4.54 8.73 -40.19 1 6 -1 85 451.355 3

Activity (Go SEA)

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