UCSF

ZINC31978439

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 16 No

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) 1.47 6.89 -45.67 1 3 1 31 220.292 3
Hi High (pH 8-9.5) 1.47 4.48 -7.7 0 3 0 30 219.284 3

Activity (Go SEA)

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