UCSF

ZINC42902150

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 19 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) 3.42 8.9 -115.97 4 2 2 32 262.441 5
Hi High (pH 8-9.5) 3.42 8.59 -33.81 3 2 1 30 261.433 5
Hi High (pH 8-9.5) 3.42 7.21 -44.71 3 2 1 31 261.433 5

Activity (Go SEA)

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