UCSF

ZINC05445136

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2006 27 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) 3.02 7.91 -63.28 1 6 -1 87 378.433 3
Mid Mid (pH 6-8) 3.09 6.85 -153.14 0 6 -2 93 377.425 3

Activity (Go SEA)

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