UCSF

ZINC42580046

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 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) 3.19 8.88 -121.38 4 2 2 32 262.441 7
Hi High (pH 8-9.5) 3.19 8.55 -27.44 3 2 1 30 261.433 7
Hi High (pH 8-9.5) 3.19 6.95 -42.67 3 2 1 31 261.433 7

Activity (Go SEA)

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