UCSF

ZINC34985568

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 19 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) 2.78 3.49 -4.92 2 3 0 37 270.254 2
Lo Low (pH 4.5-6) 2.78 4.87 -47.42 3 3 1 42 271.262 2

Activity (Go SEA)

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