UCSF

ZINC30735392

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2009 30 No

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) 3.57 8.56 -52.71 2 7 1 83 498.398 6
Mid Mid (pH 6-8) 3.57 6.34 -17.74 1 7 0 82 497.39 6

Activity (Go SEA)

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