UCSF

ZINC45686217

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 18 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) 2.29 6.85 -45.58 2 4 1 52 252.334 8
Hi High (pH 8-9.5) 2.29 5.74 -7.49 1 4 0 48 251.326 8

Activity (Go SEA)

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