UCSF

ZINC24864460

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 30 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) 4.09 13.47 -60.85 2 8 1 97 408.482 7
Hi High (pH 8-9.5) 4.09 11.51 -16.02 1 8 0 96 407.474 7

Activity (Go SEA)

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