UCSF

ZINC36984852

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) 3.48 10.55 -45.65 2 3 1 43 284.379 8
Mid Mid (pH 6-8) 3.48 9.69 -6.59 1 3 0 38 283.371 8

Activity (Go SEA)

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