UCSF

ZINC24945687

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 26 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) 3.73 12.66 -35.81 1 3 1 25 383.562 5
Hi High (pH 8-9.5) 3.73 10.95 -9.15 0 3 0 24 382.554 5

Activity (Go SEA)

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