UCSF

ZINC21815034

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 1.65 1.47 -14.59 4 7 0 106 308.363 6
Hi High (pH 8-9.5) 1.65 1.54 -45.84 3 7 -1 108 307.355 6

Activity (Go SEA)

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