UCSF

ZINC23360204

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 25 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) 4.22 8.82 -15.63 1 6 0 73 383.901 9
Hi High (pH 8-9.5) 4.29 7.9 -42.14 0 6 -1 80 382.893 9

Activity (Go SEA)

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