UCSF

ZINC31098470

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2009 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) 2.71 4.17 -10.33 3 4 0 61 270.332 4
Mid Mid (pH 6-8) 2.34 2.92 -33.68 4 4 1 66 271.34 5

Activity (Go SEA)

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