UCSF

ZINC42324579

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 16 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) 3.10 9.39 -44.11 1 2 1 28 217.336 4
Mid Mid (pH 6-8) 3.10 7.76 -7.58 0 2 0 27 216.328 4

Activity (Go SEA)

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