UCSF

ZINC42338378

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 11 No

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) 1.96 4.07 -5.93 0 2 0 27 152.241 2
Mid Mid (pH 6-8) 1.96 6.33 -44.94 1 2 1 28 153.249 2

Activity (Go SEA)

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