UCSF

ZINC12308254

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2008 31 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) 2.52 13.35 -49.46 1 6 1 64 424.565 10
Lo Low (pH 4.5-6) 2.52 13.63 -93.27 2 6 2 65 425.573 10

Activity (Go SEA)

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