UCSF

ZINC31255542

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2009 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) 1.20 2.46 -13.07 2 5 0 75 218.212 2
Hi High (pH 8-9.5) 1.66 -0.16 -57.45 1 5 -1 78 217.204 2

Activity (Go SEA)

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