UCSF

ZINC37827851

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 0.39 3.5 -54.24 1 7 -1 93 296.347 6
Mid Mid (pH 6-8) 0.39 5.64 -76.83 2 7 0 94 297.355 6
Lo Low (pH 4.5-6) 0.39 3.64 -51.27 3 7 1 91 298.363 6

Activity (Go SEA)

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