UCSF

ZINC15721457

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 35 Yes

Other Names:

MFCD00133914

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) -3.26 1.37 -81.91 7 13 0 204 498.581 12
Hi High (pH 8-9.5) -3.26 1.77 -54.41 6 13 -1 203 497.573 12

Activity (Go SEA)

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