UCSF

ZINC69564203

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 26 Yes

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) 3.66 4.94 -41.45 1 6 -1 87 348.382 5
Mid Mid (pH 6-8) 3.20 6.8 -10.28 2 6 0 84 349.39 5

Activity (Go SEA)

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