UCSF

ZINC42895521

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 25 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) 2.81 3.62 -11.46 2 7 0 88 345.399 4
Hi High (pH 8-9.5) 3.00 0.96 -44.51 1 7 -1 94 344.391 4

Activity (Go SEA)

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