UCSF

ZINC18130592

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 24 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) 4.41 5.99 -10.38 2 5 0 75 340.404 3
Ref Reference (pH 7) 3.92 5.4 -44.22 1 5 -1 74 339.396 4
Hi High (pH 8-9.5) 4.86 4.23 -47.6 1 5 -1 78 339.396 3

Activity (Go SEA)

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