UCSF

ZINC20901127

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 25 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) 1.84 4.91 -56.38 2 6 1 66 363.507 6
Hi High (pH 8-9.5) 1.84 2.44 -21.16 1 6 0 65 362.499 6
Mid Mid (pH 6-8) 1.84 4.77 -63.08 2 6 1 66 363.507 6

Activity (Go SEA)

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