UCSF

ZINC45784660

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2010 16 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) 2.73 5.6 -3.04 0 2 0 12 219.328 2
Lo Low (pH 4.5-6) 2.73 7.8 -32.44 1 2 1 14 220.336 2

Activity (Go SEA)

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