UCSF

ZINC49635790

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2010 24 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) 3.89 12.14 -97.16 2 4 2 35 324.403 2
Mid Mid (pH 6-8) 3.89 9.44 -10.98 0 4 0 32 322.387 2
Lo Low (pH 4.5-6) 3.89 12.14 -78.34 2 4 2 35 324.403 2

Activity (Go SEA)

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