UCSF

ZINC34969837

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 29 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) 4.57 9.78 -7.91 1 5 0 53 399.579 10
Mid Mid (pH 6-8) 4.57 11.98 -49.52 2 5 1 54 400.587 10

Activity (Go SEA)

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