UCSF

ZINC23383205

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2008 29 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) 3.36 8.85 -14.81 1 5 0 53 389.499 7
Lo Low (pH 4.5-6) 3.36 11.06 -57.45 2 5 1 54 390.507 7

Activity (Go SEA)

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