UCSF

ZINC36991742

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 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) 4.25 8.07 -44.39 3 2 1 37 347.276 4
Hi High (pH 8-9.5) 4.25 7.34 -5.31 2 2 0 32 346.268 4

Activity (Go SEA)

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