UCSF

ZINC36225727

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) 1.61 4.82 -42.68 3 5 1 66 239.295 6
Hi High (pH 8-9.5) 1.61 2.3 -6.99 2 5 0 65 238.287 6

Activity (Go SEA)

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