UCSF

ZINC36766083

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 20 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) 5.46 8.69 -4.76 3 3 0 55 336.277 6
Mid Mid (pH 6-8) 5.46 8.82 -29.98 4 3 1 56 337.285 6

Activity (Go SEA)

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