UCSF

ZINC37858691

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2009 20 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) 1.60 -0.6 -13.08 3 6 0 88 319.144 2
Lo Low (pH 4.5-6) 1.60 -0.12 -33.09 4 6 1 89 320.152 2

Activity (Go SEA)

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