UCSF

ZINC36828785

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 21 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) 2.51 2.62 -39.07 1 6 -1 94 340.793 3
Mid Mid (pH 6-8) 2.51 3.01 -15.62 2 6 0 92 341.801 3

Activity (Go SEA)

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