UCSF

ZINC42206308

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 12 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) -1.29 -3.38 -39.5 4 5 1 75 177.224 7
Hi High (pH 8-9.5) -1.29 -4.81 -10.74 3 5 0 71 176.216 7

Activity (Go SEA)

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