UCSF

ZINC20434315

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 16 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) 1.00 0.95 -41.36 4 4 1 66 241.698 2
Hi High (pH 8-9.5) 1.00 -0.35 -9.9 3 4 0 61 240.69 2

Activity (Go SEA)

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