UCSF

ZINC19933574

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 20 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) 0.78 3.07 -97.58 4 5 2 54 281.4 7
Mid Mid (pH 6-8) 0.78 0.69 -47.1 3 5 1 53 280.392 7

Activity (Go SEA)

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