UCSF

ZINC41685016

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 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) 3.66 6.33 -38.67 2 4 1 51 429.198 7
Hi High (pH 8-9.5) 3.66 4.44 -6.13 1 4 0 49 428.19 7
Hi High (pH 8-9.5) 3.66 6.22 -28.4 1 4 0 53 428.19 7

Activity (Go SEA)

Rings

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