UCSF

ZINC34348396

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 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) 3.36 9.28 -14.93 0 6 0 56 456.015 5
Lo Low (pH 4.5-6) 3.36 12.43 -90.79 2 6 2 58 458.031 5

Activity (Go SEA)

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