UCSF

ZINC19839813

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 3.17 4.94 -13.72 2 3 0 49 241.29 2
Hi High (pH 8-9.5) 3.17 5.74 -46.1 1 3 -1 52 240.282 2

Activity (Go SEA)

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