UCSF

ZINC43914686

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 13 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) 2.38 6.74 -102.3 3 2 2 21 188.359 7
Hi High (pH 8-9.5) 2.38 5.46 -34.78 2 2 1 16 187.351 7
Mid Mid (pH 6-8) 2.38 4.4 -34.68 2 2 1 20 187.351 7

Activity (Go SEA)

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