UCSF

ZINC27733430

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 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) 5.15 10.78 -51.76 1 5 -1 87 349.447 13
Mid Mid (pH 6-8) 5.15 11.63 -104.17 0 5 -2 89 348.439 13
Lo Low (pH 4.5-6) 5.15 9.66 -14 2 5 0 84 350.455 13

Activity (Go SEA)

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