UCSF

ZINC45630256

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 12 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) 2.66 6.68 -38.97 2 1 1 17 231.157 4
Mid Mid (pH 6-8) 2.66 5.28 -1.82 1 1 0 12 230.149 4

Activity (Go SEA)

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