UCSF

ZINC19850503

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 29 No

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) 2.97 4.94 -64.96 3 8 1 104 482.38 6
Hi High (pH 8-9.5) 2.97 3.24 -53.1 1 8 -1 105 480.364 6
Mid Mid (pH 6-8) 2.97 2.61 -22.02 2 8 0 102 481.372 6

Activity (Go SEA)

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