UCSF

ZINC42477594

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 20 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) -1.00 -1.81 -14.8 3 8 0 132 297.292 4
Mid Mid (pH 6-8) -0.54 -4.47 -40.76 2 8 -1 135 296.284 4

Activity (Go SEA)

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