UCSF

ZINC34984079

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 28 Yes

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) 3.49 9.56 -12.13 0 7 0 82 454.309 2
Lo Low (pH 4.5-6) 3.49 10.02 -43.37 1 7 1 83 455.317 2

Activity (Go SEA)

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