UCSF

ZINC61804323

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.09 7 -37.48 1 5 1 31 305.446 5
Hi High (pH 8-9.5) 1.09 4.62 -9.87 0 5 0 30 304.438 5
Lo Low (pH 4.5-6) 1.09 7.78 -71.62 2 5 0 32 306.454 5

Activity (Go SEA)

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