UCSF

ZINC34234490

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 33 No

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) 4.81 5.86 -44.65 1 7 -1 104 482.299 5
Hi High (pH 8-9.5) 4.81 6.64 -93.03 0 7 -2 107 481.291 5
Mid Mid (pH 6-8) 4.35 8.53 -12.01 2 7 0 101 483.307 5

Activity (Go SEA)

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