UCSF

ZINC39912324

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 39 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) 6.40 12.88 -14.99 2 7 0 88 525.649 10
Hi High (pH 8-9.5) 6.17 13.79 -59.2 0 7 -1 87 524.641 10
Hi High (pH 8-9.5) 6.17 13.3 -50.91 0 7 -1 87 524.641 10
Hi High (pH 8-9.5) 6.40 13.74 -43.77 1 7 -1 91 524.641 10

Activity (Go SEA)

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