UCSF

ZINC51205565

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.90 7.44 -39.43 1 5 1 43 237.327 5
Mid Mid (pH 6-8) 0.90 5.24 -7.09 0 5 0 41 236.319 5

Activity (Go SEA)

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