UCSF

ZINC44679528

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 17 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) 1.47 5.37 -77.54 5 3 2 44 241.423 9
Hi High (pH 8-9.5) 1.47 2.89 -40.73 4 3 1 43 240.415 9
Lo Low (pH 4.5-6) 1.47 6.5 -166.58 6 3 3 49 242.431 9
Lo Low (pH 4.5-6) 1.47 4 -90.2 5 3 2 47 241.423 9

Activity (Go SEA)

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