UCSF

ZINC36680402

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 1.07 5.49 -32.06 2 3 1 40 208.329 4
Lo Low (pH 4.5-6) 1.07 6.36 -108.62 3 3 2 45 209.337 4

Activity (Go SEA)

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