UCSF

ZINC41569223

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 22 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) 1.35 8.43 -58.74 2 5 1 70 313.406 4
Hi High (pH 8-9.5) 1.53 4.89 -44.27 0 5 -1 75 311.39 4
Mid Mid (pH 6-8) 1.53 7.17 -55.98 1 5 0 77 312.398 4
Mid Mid (pH 6-8) 1.35 6.17 -23.66 1 5 0 69 312.398 4

Activity (Go SEA)

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