UCSF

ZINC29358580

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2009 26 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) 1.63 7.46 -22.32 1 7 0 75 355.394 7
Lo Low (pH 4.5-6) 1.63 7.89 -47.7 2 7 1 76 356.402 7

Activity (Go SEA)

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