UCSF

ZINC06786027

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 28 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) 1.85 6.81 -58.89 0 9 -1 129 385.352 8
Mid Mid (pH 6-8) 2.29 1 -25.28 1 9 0 125 386.36 7
Mid Mid (pH 6-8) 1.26 1.11 -17.2 0 9 0 122 386.36 8

Activity (Go SEA)

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