UCSF

ZINC36163091

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 11 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) 1.37 2.93 -48.55 3 2 1 45 235.126 3
Hi High (pH 8-9.5) 1.37 2.55 -4.4 2 2 0 43 234.118 3

Activity (Go SEA)

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