UCSF

ZINC18193255

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 35 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) 2.98 10.34 -12.97 1 7 0 73 472.589 7
Ref Reference (pH 7) 2.98 10.38 -14.56 1 7 0 73 472.589 7
Ref Reference (pH 7) 2.98 10.34 -12.98 1 7 0 73 472.589 7
Mid Mid (pH 6-8) 2.98 12.56 -48 2 7 1 74 473.597 7
Mid Mid (pH 6-8) 2.98 12.6 -49.41 2 7 1 74 473.597 7

Activity (Go SEA)

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