UCSF

ZINC05409026

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 27 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) 3.45 8.01 -42.82 1 5 -1 81 364.421 5
Mid Mid (pH 6-8) 2.86 -0.45 -21.29 1 5 0 74 365.429 5
Mid Mid (pH 6-8) 3.89 6.65 -28.81 2 5 0 78 365.429 4

Activity (Go SEA)

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