UCSF

ZINC05006016

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2006 29 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) 3.71 11.22 -23.13 1 5 0 59 386.451 5
Mid Mid (pH 6-8) 3.78 8.75 -36.19 2 5 1 64 387.459 5

Activity (Go SEA)

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