UCSF

ZINC27986995

Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2009 22 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) 3.23 11.22 -41.14 1 3 1 22 296.369 4
Hi High (pH 8-9.5) 3.23 8.71 -7.82 0 3 0 21 295.361 4

Activity (Go SEA)

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