UCSF

ZINC34676461

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 28 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) 3.71 9.5 -12.57 0 4 0 27 401.913 3
Mid Mid (pH 6-8) 3.71 11.89 -48.66 1 4 1 28 402.921 3

Activity (Go SEA)

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