UCSF

ZINC38590443

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 27 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) 4.57 9.8 -52.06 3 5 1 49 387.935 5
Mid Mid (pH 6-8) 4.57 7.59 -11.24 2 5 0 48 386.927 5

Activity (Go SEA)

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