UCSF

ZINC16806918

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 2008 24 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) 3.49 8.75 -17.08 2 5 0 71 324.359 6
Hi High (pH 8-9.5) 3.95 8.63 -39.74 1 5 -1 74 323.351 6

Activity (Go SEA)

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