UCSF

ZINC19267487

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 17 Yes

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) 0.77 4.64 -41.74 3 3 1 44 233.335 5
Mid Mid (pH 6-8) 0.77 6.59 -127.18 4 3 2 45 234.343 5
Mid Mid (pH 6-8) 0.77 6.25 -36.82 3 3 1 44 233.335 5

Activity (Go SEA)

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