UCSF

ZINC20434332

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) -0.67 0.22 -94.27 5 5 2 70 241.335 2
Hi High (pH 8-9.5) -0.67 -1.15 -41.02 4 5 1 66 240.327 2

Activity (Go SEA)

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