UCSF

ZINC42455234

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 0.78 4.28 -32.02 3 5 1 72 208.289 3
Hi High (pH 8-9.5) 0.78 4.16 -9.27 2 5 0 71 207.281 3

Activity (Go SEA)

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