UCSF

ZINC28182428

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2009 32 No

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) 4.59 11.66 -36.25 1 6 0 72 432.52 4
Mid Mid (pH 6-8) 4.59 11.03 -60.4 2 6 1 69 433.528 4

Activity (Go SEA)

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