UCSF

ZINC05955089

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2006 22 Yes

CAS Number: 473-99-4

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) 3.25 7.27 -39.31 2 3 1 30 297.422 1
Hi High (pH 8-9.5) 3.25 4.96 -5.44 1 3 0 28 296.414 1

Activity (Go SEA)

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