UCSF

ZINC03870616

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 23 Yes

CAS Number: 77159-57-0

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) 6.72 11.79 -48.04 1 3 -1 60 323.497 16
Lo Low (pH 4.5-6) 6.72 10.68 -9.54 2 3 0 58 324.505 16

Activity (Go SEA)

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