UCSF

ZINC26578186

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) 1.07 1.75 -45.29 1 5 -1 93 192.15 2
Hi High (pH 8-9.5) 1.07 2.69 -100.31 0 5 -2 96 191.142 2

Activity (Go SEA)

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