UCSF

ZINC37866734

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2009 26 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) 2.56 4.93 -49.31 1 6 -1 91 344.35 3
Lo Low (pH 4.5-6) 2.11 7.63 -9.29 2 6 0 88 345.358 3

Activity (Go SEA)

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