UCSF

ZINC40188077

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 0.99 5.76 -10.44 1 5 0 64 273.336 4
Mid Mid (pH 6-8) 0.99 6.28 -32.38 2 5 1 65 274.344 4

Activity (Go SEA)

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