UCSF

ZINC14535732

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2008 36 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) 4.10 12.07 -11.46 2 8 0 94 486.572 12
Lo Low (pH 4.5-6) 4.10 12.32 -34.07 3 8 1 96 487.58 12

Activity (Go SEA)

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