UCSF

ZINC33809470

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 27 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) 3.59 10.2 -26.94 1 6 0 81 378.409 4
Hi High (pH 8-9.5) 3.66 9.28 -55.53 0 6 -1 88 377.401 4

Activity (Go SEA)

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