UCSF

ZINC20408169

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 22 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) 3.74 8.46 -13.11 1 3 0 42 327.43 2
Hi High (pH 8-9.5) 3.74 9.26 -40.14 0 3 -1 45 326.422 2

Activity (Go SEA)

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