UCSF

ZINC39948792

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2010 36 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) 2.20 6.44 -32.9 4 16 1 206 499.468 7
Hi High (pH 8-9.5) 2.20 4.32 -9.73 3 16 0 205 498.46 7

Activity (Go SEA)

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