UCSF

ZINC28809418

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 26 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) 2.23 5.19 -16.79 1 6 0 81 344.374 4
Lo Low (pH 4.5-6) 2.23 5.63 -60.93 2 6 1 82 345.382 4

Activity (Go SEA)

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