UCSF

ZINC42404200

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) 1.16 2.74 -102.02 6 6 2 90 294.399 8
Hi High (pH 8-9.5) 1.16 0.76 -61.91 5 6 1 89 293.391 8

Activity (Go SEA)

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