UCSF

ZINC45227755

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2010 39 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) 6.57 16.99 -50.43 4 8 1 93 523.661 11
Lo Low (pH 4.5-6) 6.57 17.35 -83.64 5 8 2 94 524.669 11

Activity (Go SEA)

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