UCSF

ZINC61654348

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2011 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) -1.69 5.78 -57.24 1 7 0 71 316.427 4
Hi High (pH 8-9.5) -1.69 3.29 -39.56 0 7 -1 70 315.419 4

Activity (Go SEA)

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