UCSF

ZINC42454814

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 1.06 5.15 -41.66 3 5 1 73 262.333 4
Mid Mid (pH 6-8) 1.06 3.12 -10.18 2 5 0 72 261.325 4

Activity (Go SEA)

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