UCSF

ZINC04556764

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2005 23 No

CAS Number: 4618-18-2

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) -4.45 -13.56 -15.71 8 11 0 197 342.297 8
Hi High (pH 8-9.5) -4.88 -13.37 -56.64 7 11 -1 200 341.289 8

Activity (Go SEA)

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