UCSF

ZINC05250698

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2006 25 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) 2.70 -6.83 -18.42 1 6 0 83 384.454 4
Hi High (pH 8-9.5) 2.70 -6.25 -55.88 0 6 -1 85 383.446 4

Activity (Go SEA)

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