UCSF

ZINC37215149

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 1.69 6.61 -47.11 2 4 1 43 246.334 4
Hi High (pH 8-9.5) 1.69 5.17 -11.1 1 4 0 39 245.326 4
Lo Low (pH 4.5-6) 1.69 7.06 -94.32 3 4 2 44 247.342 4

Activity (Go SEA)

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