UCSF

ZINC42314823

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 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) 1.20 8.25 -41.12 1 4 1 49 258.345 4
Mid Mid (pH 6-8) 1.20 6.01 -13.17 0 4 0 47 257.337 4

Activity (Go SEA)

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