UCSF

ZINC42454484

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) 0.20 6.44 -49.59 1 4 1 49 212.317 6
Mid Mid (pH 6-8) 0.20 4.38 -11.17 0 4 0 47 211.309 6

Activity (Go SEA)

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