UCSF

ZINC38592770

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 24 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) 2.07 6.78 -51.88 2 6 1 63 346.48 6
Mid Mid (pH 6-8) 2.07 4.57 -8.95 1 6 0 61 345.472 6

Activity (Go SEA)

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