UCSF

ZINC32882009

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 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) 2.27 7.22 -14.44 0 6 0 55 375.856 6
Lo Low (pH 4.5-6) 2.27 7.64 -44.01 1 6 1 56 376.864 6

Activity (Go SEA)

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