UCSF

ZINC49737603

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 23 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) 2.79 6.3 -41.37 2 5 1 74 336.481 7
Hi High (pH 8-9.5) 2.79 6.74 -32.15 1 5 0 76 335.473 7
Hi High (pH 8-9.5) 2.79 4.04 -10.5 1 5 0 73 335.473 7

Activity (Go SEA)

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