UCSF

ZINC35840493

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 20 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) 0.95 6.46 -50.1 2 5 1 59 271.344 1
Mid Mid (pH 6-8) 1.37 5.17 -30.52 2 5 0 61 270.336 1
Mid Mid (pH 6-8) 0.95 7.75 -137.88 3 5 2 63 272.352 1
Lo Low (pH 4.5-6) 1.37 6.61 -71.05 3 5 1 66 271.344 1
Lo Low (pH 4.5-6) 0.95 7.56 -85.26 2 5 1 62 271.344 1

Activity (Go SEA)

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