UCSF

ZINC13703938

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 26 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) -3.97 -10.3 -75.92 11 12 1 225 380.374 5
Hi High (pH 8-9.5) -3.97 -10.64 -34.14 10 12 0 223 379.366 5

Activity (Go SEA)

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