UCSF

ZINC03995565

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 14 Yes

CAS Number: 6729-55-1

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) -4.72 0.22 -78.66 4 7 -1 137 203.174 6
Hi High (pH 8-9.5) -4.72 -0.11 -92.82 3 7 -2 135 202.166 6

Activity (Go SEA)

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