UCSF

ZINC19960669

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 12 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) 1.42 3.29 -38.6 2 2 1 20 171.308 5
Hi High (pH 8-9.5) 1.42 4.32 -29.21 2 2 1 16 171.308 5
Mid Mid (pH 6-8) 1.42 5.66 -105.99 3 2 2 21 172.316 5

Activity (Go SEA)

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