UCSF

ZINC34699327

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 37 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) 5.09 13.71 -65.41 1 6 1 52 507.626 10
Mid Mid (pH 6-8) 5.09 11.27 -13.42 0 6 0 51 506.618 10

Activity (Go SEA)

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