UCSF

ZINC00799456

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 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) 6.15 -0.29 -6.39 0 4 0 55 434.363 4
Mid Mid (pH 6-8) 6.33 -0.09 -7.97 0 4 0 55 434.363 4
Mid Mid (pH 6-8) 6.33 1.02 -7.74 0 4 0 55 434.363 4
Mid Mid (pH 6-8) 6.15 -0.25 -10.23 0 4 0 55 434.363 4

Activity (Go SEA)

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