UCSF

ZINC34610573

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 30 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) 3.68 12.21 -81.92 4 5 2 51 409.553 5
Mid Mid (pH 6-8) 3.68 14.62 -181.02 5 5 3 52 410.561 5
Mid Mid (pH 6-8) 3.68 11.79 -47.81 3 5 1 50 408.545 5

Activity (Go SEA)

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