UCSF

ZINC05595922

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2006 29 No

Download: MOL2 SDF SMILES Flexibase

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) 3.59 9.48 -53.65 0 5 -1 70 414.84 5
Mid Mid (pH 6-8) 4.04 0.4 -17.05 1 5 0 66 415.848 4

Activity (Go SEA)

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