UCSF

ZINC00576101

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 20 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) 4.41 9.46 -9.92 0 2 0 22 328.209 3
Mid Mid (pH 6-8) 4.41 9.91 -27.73 1 2 1 23 329.217 3

Activity (Go SEA)

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