UCSF

ZINC37978647

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 21 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 7.11 -45.94 1 4 1 42 315.434 5
Mid Mid (pH 6-8) 2.96 4.89 -7.34 0 4 0 41 314.426 5

Activity (Go SEA)

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