UCSF

ZINC42365904

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.43 6.35 -35.64 1 6 1 46 348.467 6
Mid Mid (pH 6-8) 1.43 4.06 -11.27 0 6 0 45 347.459 6

Activity (Go SEA)

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