UCSF

ZINC23942944

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2009 22 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) 3.08 8.12 -20.16 1 5 0 62 332.454 5
Lo Low (pH 4.5-6) 3.08 8.5 -33.91 2 5 1 63 333.462 5

Activity (Go SEA)

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