UCSF

ZINC34980403

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 20 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) 3.66 10.17 -14.55 0 3 0 35 284.746 3
Lo Low (pH 4.5-6) 3.66 10.65 -32.52 1 3 1 36 285.754 3

Activity (Go SEA)

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