UCSF

ZINC42581329

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 17 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) 2.55 8.48 -7.8 1 3 0 34 251.399 3
Hi High (pH 8-9.5) 3.28 8.59 -41.48 0 3 -1 31 250.391 3

Activity (Go SEA)

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