UCSF

ZINC05602346

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2006 23 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) 4.52 -0.14 -10.08 1 4 0 69 328.437 4
Hi High (pH 8-9.5) 4.52 0.42 -38.57 0 4 -1 72 327.429 4

Activity (Go SEA)

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