UCSF

ZINC35765344

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 21 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 8.45 -124.15 4 2 2 32 284.447 5
Mid Mid (pH 6-8) 3.66 6.2 -47.74 3 2 1 31 283.439 5
Mid Mid (pH 6-8) 3.66 8.99 -30.24 3 2 1 30 283.439 5

Activity (Go SEA)

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