UCSF

ZINC42171392

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 12 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) -0.11 -0.96 -92.77 6 4 2 73 173.26 4
Hi High (pH 8-9.5) -0.11 -1.34 -34.53 5 4 1 72 172.252 4

Activity (Go SEA)

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