UCSF

ZINC15659939

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2008 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) 4.02 8.84 -6.45 1 3 0 41 334.803 3
Ref Reference (pH 7) 4.02 9.26 -6.49 1 3 0 41 334.803 3
Mid Mid (pH 6-8) 4.02 8.86 -32.86 0 3 -1 44 333.795 4

Activity (Go SEA)

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