UCSF

ZINC62959820

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 16 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) 3.12 6.67 -119.16 4 2 2 32 226.408 3
Mid Mid (pH 6-8) 3.12 6.42 -31.25 3 2 1 30 225.4 3

Activity (Go SEA)

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