UCSF

ZINC36204952

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.75 5.64 -13.45 2 7 0 88 437.606 11
Mid Mid (pH 6-8) 2.75 7.69 -51.09 3 7 1 89 438.614 11

Activity (Go SEA)

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