UCSF

ZINC19839315

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 19 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) 2.01 4.59 -47.06 3 5 1 63 267.349 7
Hi High (pH 8-9.5) 2.01 5.53 -75.29 2 5 0 66 266.341 7
Hi High (pH 8-9.5) 2.01 3.22 -61.34 1 5 -1 65 265.333 7
Hi High (pH 8-9.5) 2.01 2.27 -15.21 2 5 0 62 266.341 7

Activity (Go SEA)

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