UCSF

ZINC35586013

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 23 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) 5.38 10.91 -50.29 0 4 -1 62 310.373 8
Lo Low (pH 4.5-6) 5.38 11.26 -63.05 1 4 0 63 311.381 8

Activity (Go SEA)

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