UCSF

ZINC14240163

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 25 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) 2.04 5.23 -11.96 0 6 0 58 382.917 4
Lo Low (pH 4.5-6) 2.04 7.45 -55.1 1 6 1 60 383.925 4

Activity (Go SEA)

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