UCSF

ZINC21814210

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 2.60 4.12 -10.59 2 5 0 78 286.722 3
Lo Low (pH 4.5-6) 2.60 4.51 -31.97 3 5 1 79 287.73 3

Activity (Go SEA)

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