UCSF

ZINC22040285

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 24 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) 1.12 2.86 -44.56 2 7 1 64 336.412 7
Mid Mid (pH 6-8) 1.12 0.59 -11.09 1 7 0 63 335.404 7

Activity (Go SEA)

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