UCSF

ZINC05025987

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2006 29 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) 4.20 7.59 -58.11 0 6 -1 78 388.447 4
Ref Reference (pH 7) 4.20 7.57 -58.98 0 6 -1 78 388.447 4
Lo Low (pH 4.5-6) 3.74 10.12 -12.61 1 6 0 75 389.455 4

Activity (Go SEA)

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