UCSF

ZINC31934396

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 25 No

Download: MOL2 SDF SMILES Flexibase

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) 2.27 9.34 -56.95 2 7 1 83 338.391 4
Hi High (pH 8-9.5) 2.27 7.92 -10.34 1 7 0 78 337.383 4

Activity (Go SEA)

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