UCSF

ZINC19937135

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 19 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) -0.63 0.71 -9.25 1 6 0 67 264.329 4
Mid Mid (pH 6-8) -0.63 2.99 -47.33 2 6 1 69 265.337 4

Activity (Go SEA)

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