UCSF

ZINC38075080

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2009 15 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) -0.38 2.93 -92.63 4 4 2 54 213.325 2
Mid Mid (pH 6-8) -0.38 1.64 -41.36 3 4 1 49 212.317 2

Activity (Go SEA)

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