UCSF

ZINC02994358

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2005 24 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) 5.16 7.04 -10.27 1 5 0 64 358.806 2
Ref Reference (pH 7) 4.67 6.91 -44.48 0 5 -1 63 357.798 3

Activity (Go SEA)

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