UCSF

ZINC40215006

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2010 20 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) 3.40 6.45 -6.34 0 3 0 24 371.325 3
Mid Mid (pH 6-8) 3.40 8.71 -46.75 1 3 1 25 372.333 3

Activity (Go SEA)

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