UCSF

ZINC05099643

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2006 28 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) 4.17 -2.52 -19.21 1 6 0 75 402.516 5
Hi High (pH 8-9.5) 4.17 -1.94 -63.2 0 6 -1 77 401.508 5

Activity (Go SEA)

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