UCSF

ZINC42391594

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 21 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) 0.15 2.62 -104.78 6 6 2 90 292.383 5
Hi High (pH 8-9.5) 0.15 2.18 -39.18 5 6 1 89 291.375 5

Activity (Go SEA)

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