UCSF

ZINC33743463

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 36 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) 2.50 8.42 -26.33 2 9 0 110 510.616 13
Hi High (pH 8-9.5) 2.32 7.35 -65.75 1 9 -1 116 509.608 13

Activity (Go SEA)

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