UCSF

ZINC42164440

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 13 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) -1.63 1.66 -78.81 3 5 0 88 186.211 3
Hi High (pH 8-9.5) -1.63 1.27 -54.65 2 5 -1 86 185.203 3

Activity (Go SEA)

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