UCSF

ZINC36992782

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 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) 3.68 9.63 -33.72 2 2 1 16 301.479 6
Lo Low (pH 4.5-6) 3.68 10.65 -110.75 3 2 2 21 302.487 6

Activity (Go SEA)

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