UCSF

ZINC28388743

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 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) 5.36 14.8 -35.08 1 2 1 8 385.575 7
Mid Mid (pH 6-8) 5.36 15.17 -36.73 1 2 1 8 385.575 7

Activity (Go SEA)

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