UCSF

ZINC30819386

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2009 34 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) 4.93 13.58 -64.97 3 4 1 60 478.726 4
Mid Mid (pH 6-8) 4.93 14.19 -20.05 2 4 0 59 477.718 4

Activity (Go SEA)

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