UCSF

ZINC36166603

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) -1.08 -0.75 -10.8 2 6 0 72 252.318 3
Lo Low (pH 4.5-6) -1.08 1.52 -43.47 3 6 1 74 253.326 3

Activity (Go SEA)

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