UCSF

ZINC37793357

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 1.18 5.1 -51.49 1 7 -1 108 286.267 4
Lo Low (pH 4.5-6) 1.18 3.1 -11.47 2 7 0 105 287.275 4

Activity (Go SEA)

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