UCSF

ZINC41365690

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 22 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) 3.28 7.71 -9.56 0 4 0 33 304.434 7
Mid Mid (pH 6-8) 3.28 9.92 -42.64 1 4 1 34 305.442 7

Activity (Go SEA)

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