UCSF

ZINC65331623

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 28 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) 5.26 8.97 -9.15 2 6 0 72 439.313 4
Lo Low (pH 4.5-6) 5.26 9.35 -32.61 3 6 1 73 440.321 4

Activity (Go SEA)

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