UCSF

ZINC22080646

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 22 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) 2.31 6.34 -53.37 2 6 1 65 322.41 8
Hi High (pH 8-9.5) 2.31 3.93 -19.9 1 6 0 64 321.402 8
Mid Mid (pH 6-8) 2.12 5.26 -38.65 1 6 0 71 321.402 8

Activity (Go SEA)

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