UCSF

ZINC63165811

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2011 17 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) 2.08 6.7 -107.13 3 3 2 34 255.793 4
Hi High (pH 8-9.5) 2.08 4.47 -42.36 2 3 1 33 254.785 4

Activity (Go SEA)

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