UCSF

ZINC34991897

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 20 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) 1.82 9.18 -51.68 2 4 1 44 274.388 8
Hi High (pH 8-9.5) 1.82 7.82 -7.69 1 4 0 39 273.38 8
Mid Mid (pH 6-8) 1.82 9.69 -89.22 3 4 2 45 275.396 8

Activity (Go SEA)

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