UCSF

ZINC19801273

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 15 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) 0.41 2.8 -42.75 2 3 1 33 206.313 2
Hi High (pH 8-9.5) 0.41 1.58 -3.82 1 3 0 28 205.305 2

Activity (Go SEA)

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