UCSF

ZINC36979250

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 3.81 7.94 -42.6 3 2 1 37 290.814 5
Hi High (pH 8-9.5) 3.81 7.13 -3.93 2 2 0 32 289.806 5

Activity (Go SEA)

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