UCSF

ZINC42877065

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 16.82 -189.37 5 6 3 63 527.903 14
Mid Mid (pH 6-8) 7.81 14.63 -91.95 4 6 2 61 526.895 14
Mid Mid (pH 6-8) 7.81 12.38 -112.04 4 6 2 61 526.895 14

Activity (Go SEA)

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