UCSF

ZINC36146447

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 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) 2.77 7.43 -38.01 2 4 1 46 289.399 7
Hi High (pH 8-9.5) 2.77 5.89 -9.56 1 4 0 45 288.391 7

Activity (Go SEA)

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