UCSF

ZINC31773671

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 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) 2.97 8.42 -73.17 1 5 1 59 403.499 4
Hi High (pH 8-9.5) 2.97 6.11 -18.17 0 5 0 58 402.491 4

Activity (Go SEA)

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