UCSF

ZINC03612932

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 12 Yes

CAS Numbers: 150114-71-9 , [150114-71-9]

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) 1.79 2.06 -48.06 2 4 -1 79 206.008 1
Hi High (pH 8-9.5) 0.23 6.89 -26.04 2 12 0 133 482.925 8

Activity (Go SEA)

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