UCSF

ZINC07790832

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2006 25 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) 4.13 10.92 -40.25 2 5 1 60 341.431 8
Hi High (pH 8-9.5) 3.95 10.34 -31.71 1 5 0 66 340.423 8
Hi High (pH 8-9.5) 4.13 8.67 -8.9 1 5 0 59 340.423 8

Activity (Go SEA)

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