UCSF

ZINC12756284

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2008 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) 0.46 5.92 -20.93 1 8 0 91 379.42 4
Hi High (pH 8-9.5) 0.91 4.7 -52.15 0 8 -1 95 378.412 4

Activity (Go SEA)

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