UCSF

ZINC39898670

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 30 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) 4.35 5.36 -10.89 3 7 0 99 490.741 5
Hi High (pH 8-9.5) 4.15 4.5 -48.7 1 7 -1 98 489.733 5
Mid Mid (pH 6-8) 4.35 5.72 -14 3 7 0 99 490.741 5

Activity (Go SEA)

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