UCSF

ZINC36181273

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 16 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) -0.67 -3.25 -10.88 1 6 0 68 252.336 7
Mid Mid (pH 6-8) -0.67 -0.99 -48.85 2 6 1 69 253.344 7

Activity (Go SEA)

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