UCSF

ZINC34670746

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 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) 3.43 10.34 -9.32 0 5 0 46 422.5 7
Lo Low (pH 4.5-6) 3.43 12.6 -55.21 1 5 1 47 423.508 7

Activity (Go SEA)

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