UCSF

ZINC05767579

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2006 27 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) 0.44 4.85 -14.21 1 8 0 112 380.393 5
Hi High (pH 8-9.5) 0.44 5.66 -54.67 0 8 -1 115 379.385 5

Activity (Go SEA)

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