UCSF

ZINC35658015

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 19 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) 3.09 10.25 -112.39 3 2 2 21 260.425 5
Mid Mid (pH 6-8) 3.09 9.06 -34.56 2 2 1 16 259.417 5
Mid Mid (pH 6-8) 3.09 8.02 -44 2 2 1 20 259.417 5

Activity (Go SEA)

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