UCSF

ZINC05923448

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 17 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) 2.40 4.56 -45.2 1 4 0 53 256.371 6
Mid Mid (pH 6-8) 2.40 4.48 -44.72 0 4 -1 51 255.363 6

Activity (Go SEA)

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