UCSF

ZINC09110151

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 26 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) 4.46 10.02 -52.02 0 4 -1 60 431.693 5
Mid Mid (pH 6-8) 4.46 10.01 -9.41 1 4 0 58 432.701 5
Mid Mid (pH 6-8) 3.88 10.42 -10.07 0 4 0 54 432.701 5

Activity (Go SEA)

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