UCSF

ZINC28760602

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 18 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) 4.39 6.73 -5.92 1 2 0 37 244.265 3
Hi High (pH 8-9.5) 4.39 7.41 -43.48 0 2 -1 40 243.257 3

Activity (Go SEA)

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