UCSF

ZINC09969589

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2007 31 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) 4.07 10.54 -37.06 0 6 -1 83 436.871 7
Mid Mid (pH 6-8) 4.52 0.4 -28.71 1 6 0 79 437.879 6
Mid Mid (pH 6-8) 3.49 0.67 -24.95 0 6 0 76 437.879 7

Activity (Go SEA)

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