UCSF

ZINC45195813

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2010 24 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 5.07 -86.21 6 4 2 74 332.488 8
Hi High (pH 8-9.5) 4.46 5.82 -58.31 5 4 1 76 331.48 8

Activity (Go SEA)

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