UCSF

ZINC20879975

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 26 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) 5.08 10.85 -58.39 1 4 -1 61 346.406 7
Lo Low (pH 4.5-6) 5.08 9.74 -11.18 2 4 0 59 347.414 7

Activity (Go SEA)

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