UCSF

ZINC34320100

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 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) -0.56 -2.01 -12.8 6 6 0 125 214.25 2
Mid Mid (pH 6-8) -0.43 -1.47 -42.82 7 6 1 124 215.258 3

Activity (Go SEA)

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