UCSF

ZINC43285741

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 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) 3.82 9.24 -115.5 4 2 2 32 373.335 6
Hi High (pH 8-9.5) 3.82 6.57 -3.27 2 2 0 29 371.319 6
Mid Mid (pH 6-8) 3.82 8.83 -30.21 3 2 1 30 372.327 6
Mid Mid (pH 6-8) 3.82 6.9 -45.44 3 2 1 31 372.327 6

Activity (Go SEA)

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