UCSF

ZINC11858087

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2008 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) 2.02 -7.1 -22.88 1 8 0 110 410.473 5
Hi High (pH 8-9.5) 2.02 -6.55 -60.77 0 8 -1 112 409.465 5

Activity (Go SEA)

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