UCSF

ZINC54075917

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2010 13 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) -1.81 2.34 -60.28 3 5 0 86 188.227 5
Hi High (pH 8-9.5) -1.81 1.19 -53.93 2 5 -1 81 187.219 5

Activity (Go SEA)

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