UCSF

ZINC50068235

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 17 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) 0.97 3.99 -7.54 0 5 0 47 259.737 6
Mid Mid (pH 6-8) 0.97 6.29 -41.55 1 5 1 49 260.745 6

Activity (Go SEA)

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