UCSF

ZINC45615768

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 26 No

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) 4.94 9.43 -9.97 2 5 0 60 388.411 8
Hi High (pH 8-9.5) 4.98 8.18 -36.61 1 5 -1 60 387.403 8

Activity (Go SEA)

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