UCSF

ZINC16893976

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 35 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) 4.77 10.67 -20.09 2 9 0 119 511.629 9
Mid Mid (pH 6-8) 4.77 11.06 -14.16 2 9 0 119 511.629 9
Mid Mid (pH 6-8) 5.23 9.43 -49.54 1 9 -1 122 510.621 9

Activity (Go SEA)

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