UCSF

ZINC35723952

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 33 Yes

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) 5.26 11.82 -17.55 2 6 0 84 456.571 7
Hi High (pH 8-9.5) 5.44 10.17 -48.17 1 6 -1 90 455.563 7

Activity (Go SEA)

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