UCSF

ZINC26976353

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 26 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) 6.91 14.85 -27.32 1 2 1 8 361.638 5
Mid Mid (pH 6-8) 6.91 15.19 -105.49 2 2 2 9 362.646 5

Activity (Go SEA)

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