UCSF

ZINC19479787

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 17 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) -1.39 -1.95 -66.27 4 6 1 104 261.323 6
Hi High (pH 8-9.5) -1.39 -2.25 -17.93 3 6 0 102 260.315 6

Activity (Go SEA)

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