UCSF

ZINC49109786

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2010 17 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) -0.53 -8.14 -12.81 6 8 0 145 239.187 3
Hi High (pH 8-9.5) -0.53 -7.36 -51.82 5 8 -1 148 238.179 3

Activity (Go SEA)

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