UCSF

ZINC42243158

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 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) 1.58 6.62 -36.21 1 4 1 28 266.409 7
Hi High (pH 8-9.5) 1.58 4.37 -7.28 0 4 0 27 265.401 7
Mid Mid (pH 6-8) 1.58 6.51 -32.74 1 4 1 28 266.409 7

Activity (Go SEA)

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