UCSF

ZINC26146303

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 23 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) 1.74 3.58 -12.21 1 6 0 59 316.405 5
Mid Mid (pH 6-8) 1.74 5.93 -44.82 2 6 1 61 317.413 5

Activity (Go SEA)

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