UCSF

ZINC23310142

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2008 31 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) 2.01 7.14 -17.05 1 8 0 82 419.485 5
Lo Low (pH 4.5-6) 2.01 7.44 -47.93 2 8 1 83 420.493 5

Activity (Go SEA)

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