UCSF

ZINC77175603

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2012 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 2.59 7.04 -105.03 3 3 2 29 244.423 9
Mid Mid (pH 6-8) 2.59 4.98 -33.45 2 3 1 28 243.415 9
Mid Mid (pH 6-8) 2.59 4.84 -32.23 2 3 1 28 243.415 9

Activity (Go SEA)

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