UCSF

ZINC00408134

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 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) 2.51 8.58 -12.77 0 3 0 35 269.131 3
Mid Mid (pH 6-8) 2.51 9.04 -34.09 1 3 1 36 270.139 3

Activity (Go SEA)

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