UCSF

ZINC37838976

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -0.87 2.2 -49.6 0 8 -1 99 313.359 5
Mid Mid (pH 6-8) -0.87 4.4 -64.33 1 8 0 100 314.367 5

Activity (Go SEA)

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