UCSF

ZINC19533462

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 27 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) 1.81 7.4 -15.02 0 7 0 76 374.437 7
Ref Reference (pH 7) 1.81 7.65 -15.19 0 7 0 76 374.437 7
Mid Mid (pH 6-8) 1.81 9.81 -55.72 1 7 1 77 375.445 7

Activity (Go SEA)

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