UCSF

ZINC01353157

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 25 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) 1.82 6.52 -21.23 2 6 0 84 336.326 4
Lo Low (pH 4.5-6) 1.82 6.3 -38.18 3 6 1 85 337.334 4

Activity (Go SEA)

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