UCSF

ZINC42877073

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 37 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) 7.81 15.44 -184.46 5 6 3 63 527.903 14
Mid Mid (pH 6-8) 7.81 13.6 -86.32 4 6 2 61 526.895 14
Mid Mid (pH 6-8) 7.81 12.69 -109.28 4 6 2 61 526.895 14

Activity (Go SEA)

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