UCSF

ZINC27765270

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2009 16 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) -0.85 3.28 -112.04 1 6 -2 109 227.216 4
Lo Low (pH 4.5-6) -0.85 2.15 -50.93 2 6 -1 107 228.224 4

Activity (Go SEA)

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