UCSF

ZINC19793739

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 23 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) 2.60 10.32 -42.36 2 3 1 37 307.417 5
Hi High (pH 8-9.5) 2.60 8.05 -23.8 1 3 0 36 306.409 5

Activity (Go SEA)

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