UCSF

ZINC54470034

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 12 Yes

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) -0.10 -1.3 -55.9 4 4 1 74 195.308 6
Hi High (pH 8-9.5) -0.10 -1.7 -9.37 3 4 0 72 194.3 6

Activity (Go SEA)

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