UCSF

ZINC29416077

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2009 28 Yes

CAS Number: 146426-40-6

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) 3.46 5.42 -53.62 4 6 1 95 402.854 2
Hi High (pH 8-9.5) 3.46 6.11 -93.36 3 6 0 98 401.846 2

Activity (Go SEA)

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