UCSF

ZINC03637072

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 22 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) 4.60 4.67 -7.06 0 2 0 36 326.318 4
Lo Low (pH 4.5-6) 4.60 4.86 -39.32 1 2 1 37 327.326 4

Activity (Go SEA)

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