UCSF

ZINC39234441

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2010 16 No

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) 1.71 6.54 -10.61 0 5 0 62 224.212 6
Hi High (pH 8-9.5) 1.74 5.32 -46.06 0 5 -1 68 223.204 5

Activity (Go SEA)

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