UCSF

ZINC21716287

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 32 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) -0.50 7.99 -26.43 1 10 0 117 433.472 6
Lo Low (pH 4.5-6) -0.50 8.43 -54.53 2 10 1 118 434.48 6

Activity (Go SEA)

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