UCSF

ZINC36936356

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 2.93 4.14 -6.21 2 4 0 61 246.31 5
Lo Low (pH 4.5-6) 2.93 3.92 -28.31 3 4 1 63 247.318 5

Activity (Go SEA)

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