UCSF

ZINC06554107

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2006 29 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) 3.94 12.38 -52.65 0 4 -1 60 386.402 5
Mid Mid (pH 6-8) 3.36 11.09 -9.53 0 4 0 54 387.41 5
Mid Mid (pH 6-8) 3.94 10.71 -9.82 1 4 0 58 387.41 5

Activity (Go SEA)

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