UCSF

ZINC34592949

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 36 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) 4.11 8.69 -60.6 3 8 1 99 490.58 11
Mid Mid (pH 6-8) 4.11 7.28 -17.46 2 8 0 95 489.572 11

Activity (Go SEA)

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