UCSF

ZINC19865295

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 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) 1.00 5.55 -39.22 2 7 1 72 345.423 6
Hi High (pH 8-9.5) 1.00 3.35 -13.13 1 7 0 71 344.415 6

Activity (Go SEA)

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