UCSF

ZINC26577087

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2009 14 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) -1.73 1.94 -65.08 3 5 0 88 200.238 2
Hi High (pH 8-9.5) -1.73 1.6 -54.59 2 5 -1 86 199.23 2

Activity (Go SEA)

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