UCSF

ZINC42253459

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 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) 2.92 6.17 -30.8 1 3 1 30 246.787 5
Hi High (pH 8-9.5) 2.92 4.27 -3.64 0 3 0 29 245.779 5

Activity (Go SEA)

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