UCSF

ZINC18129013

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 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) 4.68 6.39 -10.12 1 5 0 64 340.404 4
Ref Reference (pH 7) 4.19 6.19 -48.88 0 5 -1 63 339.396 5

Activity (Go SEA)

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