UCSF

ZINC45666556

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 21 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) 2.81 4.68 -41.21 4 5 1 77 355.311 7
Hi High (pH 8-9.5) 2.81 2.35 -7.32 3 5 0 75 354.303 7

Activity (Go SEA)

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