UCSF

ZINC21714434

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 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) 2.92 6.63 -17.36 2 6 0 84 388.452 5
Lo Low (pH 4.5-6) 2.92 7.01 -48.86 3 6 1 85 389.46 5

Activity (Go SEA)

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