UCSF

ZINC43253399

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 20 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) 4.04 8.71 -121.22 4 2 2 32 330.95 7
Hi High (pH 8-9.5) 4.04 6.69 -2.16 2 2 0 29 328.934 7
Mid Mid (pH 6-8) 4.04 8.38 -32.05 3 2 1 30 329.942 7
Mid Mid (pH 6-8) 4.04 6.9 -40.83 3 2 1 31 329.942 7

Activity (Go SEA)

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