UCSF

ZINC22742247

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 33 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) 3.60 5.15 -18.29 1 8 0 87 463.563 8
Mid Mid (pH 6-8) 3.60 7.47 -55.01 2 8 1 89 464.571 8

Activity (Go SEA)

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