UCSF

ZINC19839635

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 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) 3.77 6.08 -13.81 2 3 0 49 233.311 2
Hi High (pH 8-9.5) 3.77 7.1 -58.42 1 3 -1 52 232.303 2

Activity (Go SEA)

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