UCSF

ZINC36797042

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 18 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) 0.16 2.54 -59.89 4 5 1 73 249.338 3
Hi High (pH 8-9.5) 0.16 2.14 -12.44 3 5 0 71 248.33 3
Mid Mid (pH 6-8) 0.16 3 -112.29 5 5 2 74 250.346 3

Activity (Go SEA)

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