UCSF

ZINC31978396

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 19 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) 3.60 7.63 -31.82 3 3 1 40 263.405 5
Hi High (pH 8-9.5) 3.60 5.39 -3.22 2 3 0 38 262.397 5

Activity (Go SEA)

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