UCSF

ZINC09969590

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 9.66 -38.13 0 6 -1 83 436.871 7
Mid Mid (pH 6-8) 4.52 0.78 -28.46 1 6 0 79 437.879 6
Mid Mid (pH 6-8) 3.49 1 -16.17 0 6 0 76 437.879 7

Activity (Go SEA)

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