UCSF

ZINC59724300

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2011 22 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) 0.08 6.64 -68.26 1 7 -1 99 313.374 9
Mid Mid (pH 6-8) 0.08 7.49 -45.9 2 7 0 103 314.382 9

Activity (Go SEA)

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