UCSF

ZINC01469912

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 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) 3.32 8.19 -42.79 2 3 1 34 304.385 8
Hi High (pH 8-9.5) 3.32 5.99 -6.86 1 3 0 33 303.377 8

Activity (Go SEA)

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