UCSF

ZINC44976097

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 21 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) 2.11 4.73 -8.41 1 5 0 65 301.316 7
Mid Mid (pH 6-8) 2.11 6.9 -45.32 2 5 1 66 302.324 7

Activity (Go SEA)

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