UCSF

ZINC50446600

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2010 25 No

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) 3.39 9.79 -56.33 2 11 -1 167 365.713 7
Mid Mid (pH 6-8) 3.26 9.66 -48.01 2 11 -1 170 365.713 6
Lo Low (pH 4.5-6) 3.39 9.59 -15.21 3 11 0 165 366.721 7

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.