UCSF

ZINC34940873

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 25 No

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) -3.09 -1.69 -147.32 4 13 -2 201 373.218 4
Mid Mid (pH 6-8) -3.09 -2.84 -56.82 5 13 -1 198 374.226 4

Activity (Go SEA)

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