UCSF

ZINC43965765

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 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) 2.41 7.99 -105.47 3 3 2 30 264.413 6
Hi High (pH 8-9.5) 2.41 5.19 -2.48 1 3 0 24 262.397 6
Mid Mid (pH 6-8) 2.41 5.97 -38.83 2 3 1 29 263.405 6
Mid Mid (pH 6-8) 2.41 7.12 -27.72 2 3 1 26 263.405 6

Activity (Go SEA)

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