UCSF

ZINC42187226

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 18 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) 2.71 2.61 -44.52 2 4 0 65 263.366 3
Mid Mid (pH 6-8) 2.25 4.7 -54.11 3 4 1 62 264.374 3
Mid Mid (pH 6-8) 2.25 3.47 -20.86 2 4 0 58 263.366 3

Activity (Go SEA)

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