UCSF

ZINC36785172

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 17 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) 0.64 7.73 -120.56 4 2 2 32 232.371 3
Hi High (pH 8-9.5) 0.64 5.51 -2.3 2 2 0 29 230.355 3
Mid Mid (pH 6-8) 0.64 7.66 -32.06 3 2 1 30 231.363 3
Mid Mid (pH 6-8) 0.64 5.79 -37.46 3 2 1 31 231.363 3

Activity (Go SEA)

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