UCSF

ZINC28472774

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2009 14 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) 0.23 2.7 -55.94 4 4 1 74 199.274 2
Mid Mid (pH 6-8) 0.23 2.37 -16.26 3 4 0 72 198.266 2

Activity (Go SEA)

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