UCSF

ZINC07813542

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2006 23 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) 2.59 -4.56 -13.06 2 5 0 75 332.425 7
Hi High (pH 8-9.5) 2.59 -4.14 -49.63 1 5 -1 77 331.417 7

Activity (Go SEA)

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