UCSF

ZINC20247199

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 18 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) 1.49 6.17 -64.68 1 5 0 61 269.732 2
Hi High (pH 8-9.5) 1.49 4.14 -42.48 0 5 -1 59 268.724 2

Activity (Go SEA)

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