UCSF

ZINC31775974

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2009 15 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) -0.71 3.27 -54.94 3 3 0 68 219.162 3
Hi High (pH 8-9.5) -0.71 3.03 -44.3 2 3 -1 66 218.154 3

Activity (Go SEA)

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