UCSF

ZINC67910000

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 22 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) -1.54 5.89 -36.6 3 7 0 104 304.35 3
Lo Low (pH 4.5-6) -1.54 6.3 -66.42 4 7 1 105 305.358 3

Activity (Go SEA)

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