UCSF

ZINC62861866

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2011 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) 3.01 8.04 -37.97 2 3 1 23 308.877 3
Mid Mid (pH 6-8) 3.01 9.76 -97.01 3 3 2 24 309.885 3

Activity (Go SEA)

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