UCSF

ZINC40802682

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 30 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) 2.89 3.31 -46.09 6 7 1 116 468.08 10
Hi High (pH 8-9.5) 2.89 2.04 -7.38 5 7 0 111 467.072 10

Activity (Go SEA)

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