UCSF

ZINC36878938

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 1.19 4.71 -98.94 4 3 2 35 227.396 2
Hi High (pH 8-9.5) 1.19 2.33 -41.91 3 3 1 34 226.388 2
Mid Mid (pH 6-8) 1.19 3.99 -117.62 4 3 2 35 227.396 2

Activity (Go SEA)

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