UCSF

ZINC31560025

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 19 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) 3.33 5.93 -4.14 2 2 0 32 275.779 6
Mid Mid (pH 6-8) 3.33 6.94 -40.06 3 2 1 37 276.787 6

Activity (Go SEA)

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