UCSF

ZINC42555439

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 15 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) 1.94 6.24 -107.54 4 2 2 32 212.381 6
Hi High (pH 8-9.5) 1.94 6.37 -26.01 3 2 1 30 211.373 6
Mid Mid (pH 6-8) 1.94 4.97 -39.45 3 2 1 31 211.373 6

Activity (Go SEA)

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