UCSF

ZINC21799952

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 20 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) 3.80 10.07 -43.22 1 3 1 22 290.818 1
Mid Mid (pH 6-8) 3.80 7.87 -6.45 0 3 0 21 289.81 1
Mid Mid (pH 6-8) 3.80 8.28 -26.8 1 3 1 22 290.818 1

Activity (Go SEA)

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