UCSF

ZINC20612182

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 30 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) -0.90 6.1 -52.7 3 9 -1 144 410.406 7
Hi High (pH 8-9.5) -0.44 4.98 -103.94 2 9 -2 147 409.398 7

Activity (Go SEA)

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