UCSF

ZINC42915511

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 19 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) 2.36 5.63 -53.43 3 3 1 55 264.368 6
Lo Low (pH 4.5-6) 2.36 7.82 -130.06 4 3 2 56 265.376 6

Activity (Go SEA)

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