UCSF

ZINC21936230

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 28 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) 0.22 2.82 -10.45 1 8 0 86 386.452 8
Lo Low (pH 4.5-6) 0.22 5.17 -47.31 2 8 1 87 387.46 8

Activity (Go SEA)

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