UCSF

ZINC34627189

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 27 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) 5.59 13.26 -47.36 0 4 -1 54 384.883 7
Lo Low (pH 4.5-6) 5.59 11.28 -13.49 1 4 0 51 385.891 7

Activity (Go SEA)

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