UCSF

ZINC36394926

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2009 24 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) 0.91 3.22 -17.12 2 7 0 81 347.806 4
Mid Mid (pH 6-8) 0.91 5.37 -57.42 3 7 1 83 348.814 4

Activity (Go SEA)

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