UCSF

ZINC09969609

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2007 32 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) 4.39 10.93 -54.85 0 6 -1 83 448.882 8
Mid Mid (pH 6-8) 4.84 0.68 -31.81 1 6 0 79 449.89 7
Mid Mid (pH 6-8) 3.81 0.92 -25.9 0 6 0 76 449.89 8

Activity (Go SEA)

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