UCSF

ZINC39912413

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) 6.16 12.55 -15.86 2 7 0 88 525.649 8
Hi High (pH 8-9.5) 5.93 13.38 -53.06 0 7 -1 87 524.641 8
Hi High (pH 8-9.5) 5.93 13.51 -59.57 0 7 -1 87 524.641 8
Hi High (pH 8-9.5) 6.16 13.49 -40.52 1 7 -1 91 524.641 8

Activity (Go SEA)

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