UCSF

ZINC37015337

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) 0.92 2.94 -48.7 4 4 1 70 230.291 3
Hi High (pH 8-9.5) 0.92 2.63 -8.49 3 4 0 68 229.283 3
Lo Low (pH 4.5-6) 0.92 3.4 -91.16 5 4 2 71 231.299 3

Activity (Go SEA)

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