UCSF

ZINC00753552

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 26 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) 4.83 10.87 -7.62 0 4 0 56 351.446 4
Mid Mid (pH 6-8) 5.01 1.3 -8.87 0 4 0 55 351.446 4
Mid Mid (pH 6-8) 5.01 0.1 -8.99 0 4 0 55 351.446 4

Activity (Go SEA)

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