UCSF

ZINC36663735

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 31 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) 3.75 8.97 -53.79 3 6 1 80 444.621 9
Hi High (pH 8-9.5) 3.93 6.89 -41.88 2 6 0 86 443.613 9

Activity (Go SEA)

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