UCSF

ZINC41203406

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 18 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) 2.54 4.94 -52.53 2 3 1 51 288.458 4
Mid Mid (pH 6-8) 2.54 3.94 -10.74 1 3 0 46 287.45 4

Activity (Go SEA)

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