UCSF

ZINC44674833

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2010 19 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) 2.60 7.25 -35.45 2 2 1 20 257.401 3
Hi High (pH 8-9.5) 2.60 8.52 -30.99 2 2 1 16 257.401 3
Lo Low (pH 4.5-6) 2.60 9.6 -97.84 3 2 2 21 258.409 3

Activity (Go SEA)

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