UCSF

ZINC21509959

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 14 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) -2.82 -2.9 -71.31 3 6 1 101 220.274 4
Hi High (pH 8-9.5) -2.82 -3.22 -19.95 2 6 0 99 219.266 4

Activity (Go SEA)

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