UCSF

ZINC36935643

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 17 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) 4.27 6.07 -4.93 3 3 0 55 249.745 2
Mid Mid (pH 6-8) 4.27 6.16 -29.63 4 3 1 56 250.753 2

Activity (Go SEA)

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