UCSF

ZINC02047700

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 9 Yes

CAS Number: 57471-69-9

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) -1.31 -6.74 -39.04 7 5 1 114 132.143 3
Hi High (pH 8-9.5) -1.31 -7.1 -11.77 6 5 0 112 131.135 3

Activity (Go SEA)

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