UCSF

ZINC49718749

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 22 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) 2.75 6.74 -8.9 0 4 0 33 302.418 4
Mid Mid (pH 6-8) 2.75 8.96 -42.4 1 4 1 34 303.426 4

Activity (Go SEA)

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