UCSF

ZINC14532064

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2008 33 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) 4.95 11.27 -12.32 2 8 0 98 446.507 9
Lo Low (pH 4.5-6) 4.95 11.53 -31.57 3 8 1 100 447.515 9

Activity (Go SEA)

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