UCSF

ZINC34668493

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 31 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) 2.96 9.47 -43.89 2 6 1 49 423.581 8
Mid Mid (pH 6-8) 2.96 11.7 -90.82 3 6 2 50 424.589 8

Activity (Go SEA)

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