UCSF

ZINC13123495

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 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) 1.58 4.78 -7.77 2 4 0 58 245.257 1
Hi High (pH 8-9.5) 1.76 3.76 -48.39 1 4 -1 59 244.249 1

Activity (Go SEA)

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