UCSF

ZINC01552175

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 23 Yes

CAS Numbers: 71771-90-9 , [71771-90-9]

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) 1.53 3.12 -55.52 4 5 1 76 318.393 8
Hi High (pH 8-9.5) 1.53 1.75 -10.12 3 5 0 71 317.385 8

Activity (Go SEA)

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