UCSF

ZINC35081391

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 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) 1.32 3.44 -45.91 3 6 1 92 275.712 8
Mid Mid (pH 6-8) 1.32 1.99 -8.27 2 6 0 87 274.704 8

Activity (Go SEA)

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