UCSF

ZINC19855514

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 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) 3.23 10.69 -47.33 1 3 1 22 278.379 2
Mid Mid (pH 6-8) 3.23 8.82 -9.93 0 3 0 21 277.371 2
Mid Mid (pH 6-8) 3.23 9.3 -26.81 1 3 1 22 278.379 2

Activity (Go SEA)

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