UCSF

ZINC37140358

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 0.38 2.59 -102.16 5 5 2 67 284.448 5
Mid Mid (pH 6-8) 0.38 0.33 -40.66 4 5 1 66 283.44 5
Mid Mid (pH 6-8) 0.38 3.85 -82.83 5 5 2 64 284.448 5

Activity (Go SEA)

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