UCSF

ZINC39330081

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 19 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) 3.21 0.93 -10.24 3 4 0 78 256.257 3
Hi High (pH 8-9.5) 3.21 1.71 -49.38 2 4 -1 81 255.249 3

Activity (Go SEA)

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