UCSF

ZINC50928282

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2010 22 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) 2.59 8.28 -31.23 2 5 1 62 301.366 6
Mid Mid (pH 6-8) 2.59 7.87 -7.44 1 5 0 60 300.358 6

Activity (Go SEA)

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