UCSF

ZINC69133480

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 19 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) 1.38 5.63 -51.41 3 5 1 73 259.333 1
Mid Mid (pH 6-8) 1.38 4.27 -8.41 2 5 0 68 258.325 1

Activity (Go SEA)

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