UCSF

ZINC21715633

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) 3.93 10.3 -11.68 1 4 0 49 387.87 2
Lo Low (pH 4.5-6) 3.93 10.74 -44.48 2 4 1 50 388.878 2

Activity (Go SEA)

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