UCSF

ZINC40756428

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 24 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) 1.59 8.72 -50.31 1 6 1 64 331.392 4
Mid Mid (pH 6-8) 1.59 6.5 -9.48 0 6 0 63 330.384 4

Activity (Go SEA)

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