UCSF

ZINC39869740

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 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) 6.74 10.18 -22.97 2 5 0 75 445.327 4
Mid Mid (pH 6-8) 6.74 9.93 -52.34 1 5 -1 77 444.319 4

Activity (Go SEA)

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