UCSF

ZINC35853669

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 25 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) 3.01 11.29 -38.68 1 4 1 28 338.475 5
Mid Mid (pH 6-8) 3.01 8.98 -9.26 0 4 0 27 337.467 5

Activity (Go SEA)

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