UCSF

ZINC42909874

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 21 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) 3.31 7.97 -109.89 4 3 2 41 294.483 9
Mid Mid (pH 6-8) 3.31 6.6 -38.32 3 3 1 40 293.475 9
Mid Mid (pH 6-8) 3.31 7.12 -25.6 3 3 1 40 293.475 9

Activity (Go SEA)

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