UCSF

ZINC40502083

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 17 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) 3.28 8.32 -104.86 3 2 2 21 240.435 3
Hi High (pH 8-9.5) 3.28 7.9 -32.32 2 2 1 16 239.427 3
Mid Mid (pH 6-8) 3.28 6.4 -32.35 2 2 1 20 239.427 3

Activity (Go SEA)

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