UCSF

ZINC38829644

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2010 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.81 10.16 -11.65 0 7 0 63 441.535 5
Mid Mid (pH 6-8) 2.81 12.37 -53.53 1 7 1 64 442.543 5

Activity (Go SEA)

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