UCSF

ZINC37293033

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 21 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) 4.46 5.47 -13.43 3 5 0 73 294.443 12
Lo Low (pH 4.5-6) 4.46 5.64 -47.26 4 5 1 78 295.451 12

Activity (Go SEA)

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