UCSF

ZINC41150511

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 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) 3.19 6.18 -25.32 4 5 1 71 275.376 8
Hi High (pH 8-9.5) 3.19 5.8 -9.78 3 5 0 70 274.368 8

Activity (Go SEA)

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