UCSF

ZINC16894155

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 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) 4.56 9.03 -23.43 2 7 0 101 457.606 6
Mid Mid (pH 6-8) 4.56 9.28 -21.35 2 7 0 101 457.606 6
Mid Mid (pH 6-8) 5.02 7.78 -53.58 1 7 -1 104 456.598 6

Activity (Go SEA)

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