UCSF

ZINC04888546

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2006 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) 2.50 1.13 -52.98 1 6 -1 97 354.313 4
Mid Mid (pH 6-8) 2.50 1.18 -59.72 1 6 -1 97 354.313 3
Mid Mid (pH 6-8) 1.92 0.83 -52.03 0 6 -1 94 354.313 4

Activity (Go SEA)

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