UCSF

ZINC37240840

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 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) 6.65 10.57 -34.56 2 2 1 20 299.567 14
Mid Mid (pH 6-8) 6.65 12.45 -119.25 3 2 2 21 300.575 14

Activity (Go SEA)

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