UCSF

ZINC42164450

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 19 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) 0.00 6.23 -105.46 3 5 0 88 262.309 4
Hi High (pH 8-9.5) 0.00 5.82 -71.01 2 5 -1 86 261.301 4

Activity (Go SEA)

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