UCSF

ZINC15229015

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2008 30 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) 3.13 10.19 -15.87 0 5 0 44 470.411 4
Mid Mid (pH 6-8) 3.13 12.4 -57.91 1 5 1 45 471.419 4

Activity (Go SEA)

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