UCSF

ZINC41680160

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 16 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) 0.83 4.26 -94.81 5 4 2 61 231.384 8
Hi High (pH 8-9.5) 1.02 2.05 -42.29 4 4 1 67 230.376 8
Hi High (pH 8-9.5) 1.02 1.71 -27.62 3 4 0 66 229.368 8
Hi High (pH 8-9.5) 0.83 4.1 -38.17 4 4 1 60 230.376 8

Activity (Go SEA)

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