UCSF

ZINC21787375

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 20 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) 2.11 2.79 -13.55 4 6 0 97 292.364 5
Hi High (pH 8-9.5) 2.11 2.87 -46.27 3 6 -1 99 291.356 5

Activity (Go SEA)

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