UCSF

ZINC37334109

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 16 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) 1.75 5.59 -38 2 3 1 42 220.292 5
Hi High (pH 8-9.5) 1.75 4.2 -42 0 3 -1 43 218.276 5
Mid Mid (pH 6-8) 1.75 3.43 -7.71 1 3 0 41 219.284 5

Activity (Go SEA)

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