UCSF

ZINC35776042

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 20 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) 1.30 3.69 -12.52 2 4 0 48 294.42 6
Mid Mid (pH 6-8) 1.30 5.92 -38.16 3 4 1 49 295.428 6

Activity (Go SEA)

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