UCSF

ZINC42463788

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) 2.11 5.91 -106.56 4 3 2 41 244.423 6
Hi High (pH 8-9.5) 2.11 4.58 -35.98 3 3 1 40 243.415 6
Hi High (pH 8-9.5) 2.11 4.83 -27.91 3 3 1 40 243.415 6

Activity (Go SEA)

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