UCSF

ZINC12898811

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 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) 2.47 6.15 -55.14 4 5 1 71 341.431 9

Activity (Go SEA)

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