UCSF

ZINC04171556

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 29 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 5.06 12.32 -14.31 1 4 0 62 394.559 7
Mid Mid (pH 6-8) 5.65 1.26 -34.86 3 4 1 67 395.567 6
Mid Mid (pH 6-8) 5.06 0.62 -37.34 2 4 1 63 395.567 7

Activity (Go SEA)

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