UCSF

ZINC41309729

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 27 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) 0.77 3.73 -53.33 3 7 1 75 377.509 9
Mid Mid (pH 6-8) 0.77 3.94 -52.94 3 7 1 75 377.509 9
Mid Mid (pH 6-8) 0.77 1.45 -18.74 2 7 0 74 376.501 9

Activity (Go SEA)

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