UCSF

ZINC37027043

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 1.25 0.33 -55.06 5 6 1 103 320.822 6
Hi High (pH 8-9.5) 1.25 0.16 -45.01 3 6 -1 103 318.806 6
Mid Mid (pH 6-8) 1.25 0.48 -65.94 4 6 0 105 319.814 6

Activity (Go SEA)

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