UCSF

ZINC42691904

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2010 15 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) 0.27 -0.7 -45.36 5 4 1 74 214.333 6
Mid Mid (pH 6-8) 0.27 1.21 -33.7 5 4 1 74 214.333 6

Activity (Go SEA)

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