UCSF

ZINC45658220

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 17 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) 1.61 5.13 -41.11 2 4 1 44 240.371 6
Hi High (pH 8-9.5) 1.61 4.04 -7.87 1 4 0 39 239.363 6

Activity (Go SEA)

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