UCSF

ZINC34961115

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 18 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) 3.16 7.6 -68.72 2 4 0 57 246.31 3
Lo Low (pH 4.5-6) 3.16 5.69 -38.12 3 4 1 54 247.318 3

Activity (Go SEA)

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