UCSF

ZINC09380432

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 30 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) 3.74 9.37 -38.19 0 6 -1 79 426.876 9
Mid Mid (pH 6-8) 3.16 0.03 -17.09 0 6 0 72 427.884 9
Mid Mid (pH 6-8) 4.19 7.83 -25.33 1 6 0 76 427.884 8

Activity (Go SEA)

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