UCSF

ZINC04083304

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2005 35 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) 2.81 -1.33 -21.17 2 8 0 100 478.524 5
Lo Low (pH 4.5-6) 2.81 -1.22 -43.36 3 8 1 101 479.532 5

Activity (Go SEA)

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