UCSF

ZINC13570301

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 33 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) 5.39 11.12 -57.37 0 6 -1 83 475.571 5
Mid Mid (pH 6-8) 5.84 10.22 -21.16 1 6 0 80 476.579 4
Mid Mid (pH 6-8) 4.81 11.36 -12.95 0 6 0 77 476.579 5

Activity (Go SEA)

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