UCSF

ZINC42447837

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.76 4.8 -106.49 4 3 2 45 210.321 4
Hi High (pH 8-9.5) 0.76 2.51 -45.5 3 3 1 44 209.313 4
Hi High (pH 8-9.5) 0.76 4.42 -34.23 3 3 1 44 209.313 4

Activity (Go SEA)

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