UCSF

ZINC33958910

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2009 32 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) 6.36 10.45 -12.24 2 6 0 80 511.192 7
Hi High (pH 8-9.5) 6.55 9.7 -47.92 1 6 -1 86 510.184 7

Activity (Go SEA)

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