UCSF

ZINC37375080

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 18 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) 2.33 7.88 -40.32 2 4 1 42 265.406 7
Lo Low (pH 4.5-6) 2.33 8.34 -77.42 3 4 2 43 266.414 7

Activity (Go SEA)

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