UCSF

ZINC23479835

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2009 20 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) 1.51 5.66 -42.57 3 4 1 49 276.404 6
Mid Mid (pH 6-8) 1.51 6.18 -34.59 3 4 1 46 276.404 6
Lo Low (pH 4.5-6) 1.51 7.46 -120.04 4 4 2 50 277.412 6

Activity (Go SEA)

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