UCSF

ZINC44676181

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 17 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) 2.93 6.83 -3.93 3 2 0 38 224.307 3
Lo Low (pH 4.5-6) 2.93 6.69 -38.07 4 2 1 40 225.315 3

Activity (Go SEA)

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