UCSF

ZINC08659825

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2007 36 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) -0.08 -2.57 -96.8 4 10 2 120 489.58 7
Lo Low (pH 4.5-6) -0.08 -2.46 -149.97 5 10 3 121 490.588 7

Activity (Go SEA)

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