UCSF

ZINC20511168

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 18 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) 2.60 8.06 -42.71 3 2 1 37 250.406 9
Hi High (pH 8-9.5) 2.60 7.64 -2.6 2 2 0 35 249.398 9

Activity (Go SEA)

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