UCSF

ZINC19837411

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 18 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) 2.62 4.1 -11.58 1 4 0 50 269.728 1
Mid Mid (pH 6-8) 2.62 5.02 -49.29 0 4 -1 53 268.72 1

Activity (Go SEA)

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