UCSF

ZINC17194535

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2008 24 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) 3.01 2.4 -27.36 3 6 0 92 342.376 4
Mid Mid (pH 6-8) 3.01 1.96 -51.76 2 6 -1 94 341.368 4

Activity (Go SEA)

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