UCSF

ZINC33696435

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 23 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) 3.28 6.39 -13.94 2 6 0 79 312.373 5
Mid Mid (pH 6-8) 3.28 6.41 -11.06 2 6 0 79 312.373 5

Activity (Go SEA)

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