UCSF

ZINC31846265

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2009 28 No

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) 2.26 8.15 -14.4 0 6 0 53 379.46 4
Mid Mid (pH 6-8) 2.26 10.49 -56.97 1 6 1 54 380.468 4

Activity (Go SEA)

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