UCSF

ZINC40830927

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 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) -1.13 -3.49 -47.23 6 6 1 106 269.321 8
Mid Mid (pH 6-8) -1.13 -3.79 -11.97 5 6 0 105 268.313 8

Activity (Go SEA)

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