UCSF

ZINC16893820

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 34 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) 5.38 10.62 -19.31 2 8 0 116 492.63 7
Mid Mid (pH 6-8) 5.38 11.02 -14.75 2 8 0 116 492.63 7
Mid Mid (pH 6-8) 5.84 9.38 -46.59 1 8 -1 120 491.622 7

Activity (Go SEA)

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