UCSF

ZINC42440497

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 No

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) 2.36 6.1 -42.03 1 2 1 17 257.151 4
Hi High (pH 8-9.5) 2.36 3.75 -6.02 0 2 0 16 256.143 4

Activity (Go SEA)

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