UCSF

ZINC34456914

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 20 Yes

CAS Numbers: [68779-67-9] , [74709-54-9]

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) 2.67 6.61 -36.8 2 3 1 30 269.368 0
Hi High (pH 8-9.5) 2.67 4.78 -5.86 1 3 0 28 268.36 0

Activity (Go SEA)

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