UCSF

ZINC19789940

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 34 No

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) 2.89 10.37 -117.76 1 8 -2 130 463.486 11
Hi High (pH 8-9.5) 2.89 11.64 -191.26 0 8 -3 133 462.478 10
Lo Low (pH 4.5-6) 2.89 8.75 -65.36 2 8 -1 127 464.494 10

Activity (Go SEA)

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