UCSF

ZINC34247586

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2009 35 Yes

CAS Numbers: 439083-90-6 , 439083-92-8

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) 3.45 9.28 -28.6 2 8 0 102 476.577 10
Hi High (pH 8-9.5) 3.91 7.96 -52.27 1 8 -1 105 475.569 10

Activity (Go SEA)

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