UCSF

ZINC43252612

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 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) 3.57 5.34 -43.81 3 2 1 31 287.88 6
Hi High (pH 8-9.5) 3.57 5.03 -1.26 2 2 0 29 286.872 6
Mid Mid (pH 6-8) 3.57 7.26 -32.24 3 2 1 30 287.88 6
Mid Mid (pH 6-8) 3.57 7.54 -112.43 4 2 2 32 288.888 6

Activity (Go SEA)

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