UCSF

ZINC39912624

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) 5.30 10.97 -17.53 2 8 0 101 526.637 10
Hi High (pH 8-9.5) 5.07 11.88 -61.95 0 8 -1 99 525.629 10
Hi High (pH 8-9.5) 5.07 11.38 -53.11 0 8 -1 99 525.629 10
Hi High (pH 8-9.5) 5.30 11.83 -43.68 1 8 -1 103 525.629 10

Activity (Go SEA)

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