UCSF

ZINC42588515

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 21 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) 2.69 6.83 -52.04 3 4 1 53 288.415 7
Hi High (pH 8-9.5) 2.69 6.44 -6.87 2 4 0 51 287.407 7
Mid Mid (pH 6-8) 2.69 7.33 -98.74 4 4 2 54 289.423 7

Activity (Go SEA)

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