UCSF

ZINC27731705

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 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) 5.36 12.44 -50.1 2 5 1 46 443.011 8
Mid Mid (pH 6-8) 5.36 10.14 -9.49 1 5 0 45 442.003 8

Activity (Go SEA)

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