UCSF

ZINC43247939

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 1.93 4.07 -97.81 5 4 2 61 285.457 7
Hi High (pH 8-9.5) 1.93 2.56 -44.54 4 4 1 60 284.449 7
Hi High (pH 8-9.5) 1.93 2.34 -6.13 3 4 0 58 283.441 7
Mid Mid (pH 6-8) 1.93 3.79 -29.84 4 4 1 60 284.449 7

Activity (Go SEA)

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