UCSF

ZINC37818495

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 15 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) -2.09 2.63 -54.26 3 6 1 79 210.261 3
Hi High (pH 8-9.5) -2.09 2.24 -12.84 2 6 0 77 209.253 3

Activity (Go SEA)

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