UCSF

ZINC58758236

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2011 30 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) 3.58 8.03 -12.39 1 7 0 73 411.502 5
Lo Low (pH 4.5-6) 3.58 8.39 -45.46 2 7 1 74 412.51 5

Activity (Go SEA)

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