UCSF

ZINC21650889

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 22 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) 4.86 8.56 -51.59 2 4 0 66 298.386 3
Hi High (pH 8-9.5) 4.86 8.11 -53.82 1 4 -1 65 297.378 3

Activity (Go SEA)

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