UCSF

ZINC27475351

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2009 18 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) -0.03 3.06 -21.17 1 6 0 79 249.27 3
Mid Mid (pH 6-8) 0.43 0.91 -53.79 0 6 -1 82 248.262 3

Activity (Go SEA)

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