UCSF

ZINC37140992

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 17 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) 2.10 6.51 -33.48 2 3 1 30 235.351 4
Mid Mid (pH 6-8) 2.10 5.33 -35.6 2 3 1 33 235.351 4
Lo Low (pH 4.5-6) 2.10 7.54 -101.06 3 3 2 34 236.359 4

Activity (Go SEA)

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