UCSF

ZINC34347114

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 12 Yes

Other Names:

MFCD15523524

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) 2.34 2.86 -8.73 1 3 0 47 186.594 2
Hi High (pH 8-9.5) 2.34 3.63 -44.01 0 3 -1 49 185.586 2

Activity (Go SEA)

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