UCSF

ZINC42455950

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 1.41 4.23 -106.51 5 4 2 61 243.395 6
Hi High (pH 8-9.5) 1.41 3.85 -37.25 4 4 1 60 242.387 6
Hi High (pH 8-9.5) 1.41 2.26 -47.64 4 4 1 60 242.387 6

Activity (Go SEA)

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